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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 20:31:49 UTC

Update Date

2022-03-07 02:54:32 UTC

HMDB ID

HMDB0035520

Secondary Accession Numbers

HMDB35520

Metabolite Identification

Common Name

Vomifoliol 9-[xylosyl-(1->6)-glucoside]

Description

Vomifoliol 9-[xylosyl-(1->6)-glucoside] belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on Vomifoliol 9-[xylosyl-(1->6)-glucoside].

Structure

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


  Mrv0541 02241211112D          

 36 38  0  0  0  0            999 V2000
   -4.6421   -1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421   -2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3571   -2.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -2.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -2.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4579   -0.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963   -0.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0738   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602   -1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0738   -0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -1.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3546   -0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2161   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9297   -1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421   -0.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297    0.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297    1.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571    0.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571   -1.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
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  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
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 19 26  1  0  0  0  0
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 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
M  END

HMDB0035520
     RDKit          3D
Vomifoliol 9-[xylosyl-(1->6)-glucoside]
 74 76  0  0  0  0  0  0  0  0999 V2000
   -4.7216   -1.7913    1.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7137   -0.2848    1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6622    0.2959    2.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6538    1.7481    2.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110    2.3860    3.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    2.4884    1.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625    1.8915    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7407    2.4313   -0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3868    2.4751   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7635    0.4107    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9589   -0.0319   -0.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714   -0.1258   -0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809   -0.6989   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -1.2383   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -0.4824   -2.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2891   -1.1536   -0.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177   -2.3367   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -2.6361   -0.9287 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220   -1.7955   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -0.3667   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2546    0.4275   -0.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1674    0.4592   -1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3850   -4.0872    1.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6534    1.7805   -0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4240   -3.1198   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9570   -0.1783   -2.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8048    2.5613    0.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717    3.3858    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6489    2.5172   -1.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6916    0.9271    2.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342   -0.7982   -0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393    0.1521   -2.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719   -3.4234    0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6029   -2.2700    1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854   -1.1893    2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1613   -4.4875    0.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
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 30 68  1  0
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 32 70  1  0
 33 71  1  0
 34 72  1  0
 35 73  1  0
 36 74  1  0
M  END


  Mrv0541 02241211112D          

 36 38  0  0  0  0            999 V2000
   -4.6421   -1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421   -2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3571   -2.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -2.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -2.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4579   -0.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4998   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3571   -1.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035520

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3/b6-5+

> <INCHI_KEY>
ZHAMWJWQXSZIAQ-AATRIKPKSA-N

> <FORMULA>
C24H38O12

> <MOLECULAR_WEIGHT>
518.5513

> <EXACT_MASS>
518.23632668

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
53.196556077138474

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one

> <ALOGPS_LOGP>
-1.08

> <JCHEM_LOGP>
-1.4923373143333332

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.429357602213106

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.913726790660874

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4949538838744756

> <JCHEM_POLAR_SURFACE_AREA>
195.6

> <JCHEM_REFRACTIVITY>
123.79129999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035520
     RDKit          3D
Vomifoliol 9-[xylosyl-(1->6)-glucoside]
 74 76  0  0  0  0  0  0  0  0999 V2000
   -4.7216   -1.7913    1.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7137   -0.2848    1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6622    0.2959    2.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6538    1.7481    2.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110    2.3860    3.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    2.4884    1.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625    1.8915    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7407    2.4313   -0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3868    2.4751   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7635    0.4107    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9589   -0.0319   -0.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714   -0.1258   -0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809   -0.6989   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -1.2383   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -0.4824   -2.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2891   -1.1536   -0.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177   -2.3367   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -2.6361   -0.9287 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220   -1.7955   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -0.3667   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2546    0.4275   -0.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1674    0.4592   -1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    1.7794   -1.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280    2.7092   -0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8787    2.5718   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6984    2.5555   -1.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9689    1.2074    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682    1.1805    1.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5622    0.2089   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951    0.4127   -1.7024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337   -2.3292    0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9602   -1.6405    1.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -2.2477    1.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -3.0893    2.9311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523   -2.6824    1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -4.0872    1.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4081   -2.1882    0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7421   -2.1778    1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0678   -2.2093    2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6258   -0.2892    3.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3145    2.5837    1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931    3.5305    1.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0789    3.4512   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3548    2.3271   -1.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6534    1.7805   -0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4113    3.5361    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284    1.8959    0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    2.4625   -1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8375    0.0086   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8044   -0.0289   -1.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5119   -0.7644    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7425   -2.3288   -1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1386   -0.9816   -3.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112    0.5491   -2.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4744   -0.4471   -2.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -3.1198   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3477   -1.9211   -1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -0.1526    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6060    0.0182   -1.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -0.1783   -2.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    3.7058   -1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8048    2.5613    0.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717    3.3858    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6489    2.5172   -1.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110    1.0176    0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6916    0.9271    2.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342   -0.7982   -0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393    0.1521   -2.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719   -3.4234    0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6029   -2.2700    1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854   -1.1893    2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201   -3.7894    2.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3441   -2.2863    1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613   -4.4875    0.4982 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
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 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
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 19 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 10  2  1  0
 35 17  1  0
 29 22  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
  9 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 15 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
 22 60  1  0
 24 61  1  0
 24 62  1  0
 25 63  1  0
 26 64  1  0
 27 65  1  0
 28 66  1  0
 29 67  1  0
 30 68  1  0
 31 69  1  0
 32 70  1  0
 33 71  1  0
 34 72  1  0
 35 73  1  0
 36 74  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -8.665  -2.314   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.665  -3.854   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0     -10.000  -4.624   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -7.333  -4.624   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.001  -3.854   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.666  -4.624   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.321  -0.363   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.333  -1.544   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.340  -0.363   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.001  -2.314   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.666  -1.544   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.337  -2.314   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.004  -1.544   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.672  -2.314   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.004  -0.006   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.666  -3.084   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.672   0.763   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.662  -0.006   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.002   0.763   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.002   2.306   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.662   3.084   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.672   2.306   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.004   3.084   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.662   4.624   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       3.337   3.084   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.337  -0.006   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.669   0.763   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.003  -0.006   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.003  -1.546   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       7.335  -2.316   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.665  -1.546   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.665  -0.006   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.335   0.761   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       7.335   2.301   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      10.000   0.763   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      10.000  -2.316   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5                                                            
CONECT    7    8                                                            
CONECT    8    1    7    9   10                                             
CONECT    9    8                                                            
CONECT   10    5    8   11   16                                             
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   17                                                       
CONECT   16   10                                                            
CONECT   17   15   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   26                                                  
CONECT   20   19   21   25                                                  
CONECT   21   20   22   24                                                  
CONECT   22   17   21   23                                                  
CONECT   23   22                                                            
CONECT   24   21                                                            
CONECT   25   20                                                            
CONECT   26   19   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33   35                                                  
CONECT   33   28   32   34                                                  
CONECT   34   33                                                            
CONECT   35   32                                                            
CONECT   36   31                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

COMPND    HMDB0035520
HETATM    1  C1  UNL     1      -4.722  -1.791   1.331  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.714  -0.285   1.357  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.662   0.296   2.539  1.00  0.00           C  
HETATM    4  C4  UNL     1      -4.654   1.748   2.587  1.00  0.00           C  
HETATM    5  O1  UNL     1      -4.211   2.386   3.567  1.00  0.00           O  
HETATM    6  C5  UNL     1      -5.192   2.488   1.429  1.00  0.00           C  
HETATM    7  C6  UNL     1      -4.763   1.891   0.115  1.00  0.00           C  
HETATM    8  C7  UNL     1      -5.741   2.431  -0.939  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.387   2.475  -0.211  1.00  0.00           C  
HETATM   10  C9  UNL     1      -4.763   0.411   0.058  1.00  0.00           C  
HETATM   11  O2  UNL     1      -5.959  -0.032  -0.561  1.00  0.00           O  
HETATM   12  C10 UNL     1      -3.671  -0.126  -0.838  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.581  -0.699  -0.364  1.00  0.00           C  
HETATM   14  C12 UNL     1      -1.485  -1.238  -1.231  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.494  -0.482  -2.543  1.00  0.00           C  
HETATM   16  O3  UNL     1      -0.289  -1.154  -0.576  1.00  0.00           O  
HETATM   17  C14 UNL     1       0.318  -2.337  -0.243  1.00  0.00           C  
HETATM   18  O4  UNL     1       1.474  -2.636  -0.929  1.00  0.00           O  
HETATM   19  C15 UNL     1       2.522  -1.796  -0.482  1.00  0.00           C  
HETATM   20  C16 UNL     1       2.150  -0.367  -0.382  1.00  0.00           C  
HETATM   21  O5  UNL     1       3.255   0.427  -0.123  1.00  0.00           O  
HETATM   22  C17 UNL     1       4.167   0.459  -1.144  1.00  0.00           C  
HETATM   23  O6  UNL     1       4.178   1.779  -1.700  1.00  0.00           O  
HETATM   24  C18 UNL     1       4.428   2.709  -0.718  1.00  0.00           C  
HETATM   25  C19 UNL     1       5.879   2.572  -0.258  1.00  0.00           C  
HETATM   26  O7  UNL     1       6.698   2.555  -1.371  1.00  0.00           O  
HETATM   27  C20 UNL     1       5.969   1.207   0.417  1.00  0.00           C  
HETATM   28  O8  UNL     1       5.168   1.181   1.531  1.00  0.00           O  
HETATM   29  C21 UNL     1       5.562   0.209  -0.660  1.00  0.00           C  
HETATM   30  O9  UNL     1       6.495   0.413  -1.702  1.00  0.00           O  
HETATM   31  C22 UNL     1       2.934  -2.329   0.894  1.00  0.00           C  
HETATM   32  O10 UNL     1       3.960  -1.640   1.481  1.00  0.00           O  
HETATM   33  C23 UNL     1       1.754  -2.248   1.801  1.00  0.00           C  
HETATM   34  O11 UNL     1       1.946  -3.089   2.931  1.00  0.00           O  
HETATM   35  C24 UNL     1       0.452  -2.682   1.185  1.00  0.00           C  
HETATM   36  O12 UNL     1       0.385  -4.087   1.375  1.00  0.00           O  
HETATM   37  H1  UNL     1      -4.408  -2.188   0.365  1.00  0.00           H  
HETATM   38  H2  UNL     1      -5.742  -2.178   1.526  1.00  0.00           H  
HETATM   39  H3  UNL     1      -4.068  -2.209   2.124  1.00  0.00           H  
HETATM   40  H4  UNL     1      -4.626  -0.289   3.463  1.00  0.00           H  
HETATM   41  H5  UNL     1      -6.314   2.584   1.488  1.00  0.00           H  
HETATM   42  H6  UNL     1      -4.793   3.530   1.454  1.00  0.00           H  
HETATM   43  H7  UNL     1      -6.079   3.451  -0.670  1.00  0.00           H  
HETATM   44  H8  UNL     1      -5.355   2.327  -1.954  1.00  0.00           H  
HETATM   45  H9  UNL     1      -6.653   1.781  -0.879  1.00  0.00           H  
HETATM   46  H10 UNL     1      -3.411   3.536   0.171  1.00  0.00           H  
HETATM   47  H11 UNL     1      -2.628   1.896   0.344  1.00  0.00           H  
HETATM   48  H12 UNL     1      -3.214   2.462  -1.306  1.00  0.00           H  
HETATM   49  H13 UNL     1      -5.838   0.009  -1.551  1.00  0.00           H  
HETATM   50  H14 UNL     1      -3.804  -0.029  -1.900  1.00  0.00           H  
HETATM   51  H15 UNL     1      -2.512  -0.764   0.737  1.00  0.00           H  
HETATM   52  H16 UNL     1      -1.743  -2.329  -1.373  1.00  0.00           H  
HETATM   53  H17 UNL     1      -2.139  -0.982  -3.296  1.00  0.00           H  
HETATM   54  H18 UNL     1      -1.911   0.549  -2.418  1.00  0.00           H  
HETATM   55  H19 UNL     1      -0.474  -0.447  -2.998  1.00  0.00           H  
HETATM   56  H20 UNL     1      -0.424  -3.120  -0.651  1.00  0.00           H  
HETATM   57  H21 UNL     1       3.348  -1.921  -1.200  1.00  0.00           H  
HETATM   58  H22 UNL     1       1.443  -0.153   0.479  1.00  0.00           H  
HETATM   59  H23 UNL     1       1.606   0.018  -1.281  1.00  0.00           H  
HETATM   60  H24 UNL     1       3.957  -0.178  -2.009  1.00  0.00           H  
HETATM   61  H25 UNL     1       4.276   3.706  -1.139  1.00  0.00           H  
HETATM   62  H26 UNL     1       3.805   2.561   0.201  1.00  0.00           H  
HETATM   63  H27 UNL     1       6.172   3.386   0.408  1.00  0.00           H  
HETATM   64  H28 UNL     1       7.649   2.517  -1.084  1.00  0.00           H  
HETATM   65  H29 UNL     1       7.011   1.018   0.675  1.00  0.00           H  
HETATM   66  H30 UNL     1       5.692   0.927   2.319  1.00  0.00           H  
HETATM   67  H31 UNL     1       5.734  -0.798  -0.272  1.00  0.00           H  
HETATM   68  H32 UNL     1       6.139   0.152  -2.567  1.00  0.00           H  
HETATM   69  H33 UNL     1       3.172  -3.423   0.755  1.00  0.00           H  
HETATM   70  H34 UNL     1       4.603  -2.270   1.916  1.00  0.00           H  
HETATM   71  H35 UNL     1       1.685  -1.189   2.176  1.00  0.00           H  
HETATM   72  H36 UNL     1       2.620  -3.789   2.732  1.00  0.00           H  
HETATM   73  H37 UNL     1      -0.344  -2.286   1.845  1.00  0.00           H  
HETATM   74  H38 UNL     1       0.161  -4.488   0.498  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3    3   10
CONECT    3    4   40
CONECT    4    5    5    6
CONECT    6    7   41   42
CONECT    7    8    9   10
CONECT    8   43   44   45
CONECT    9   46   47   48
CONECT   10   11   12
CONECT   11   49
CONECT   12   13   13   50
CONECT   13   14   51
CONECT   14   15   16   52
CONECT   15   53   54   55
CONECT   16   17
CONECT   17   18   35   56
CONECT   18   19
CONECT   19   20   31   57
CONECT   20   21   58   59
CONECT   21   22
CONECT   22   23   29   60
CONECT   23   24
CONECT   24   25   61   62
CONECT   25   26   27   63
CONECT   26   64
CONECT   27   28   29   65
CONECT   28   66
CONECT   29   30   67
CONECT   30   68
CONECT   31   32   33   69
CONECT   32   70
CONECT   33   34   35   71
CONECT   34   72
CONECT   35   36   73
CONECT   36   74
END

HMDB0035520
     RDKit          3D
Vomifoliol 9-[xylosyl-(1->6)-glucoside]
 74 76  0  0  0  0  0  0  0  0999 V2000
   -4.7216   -1.7913    1.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7137   -0.2848    1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6622    0.2959    2.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6538    1.7481    2.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110    2.3860    3.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    2.4884    1.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625    1.8915    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7407    2.4313   -0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3868    2.4751   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7635    0.4107    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9589   -0.0319   -0.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714   -0.1258   -0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809   -0.6989   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -1.2383   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -0.4824   -2.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2891   -1.1536   -0.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177   -2.3367   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -2.6361   -0.9287 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220   -1.7955   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -0.3667   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2546    0.4275   -0.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1674    0.4592   -1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    1.7794   -1.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280    2.7092   -0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8787    2.5718   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6984    2.5555   -1.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9689    1.2074    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682    1.1805    1.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5622    0.2089   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951    0.4127   -1.7024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337   -2.3292    0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9602   -1.6405    1.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -2.2477    1.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -3.0893    2.9311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523   -2.6824    1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -4.0872    1.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4081   -2.1882    0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7421   -2.1778    1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0678   -2.2093    2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6258   -0.2892    3.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3145    2.5837    1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931    3.5305    1.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0789    3.4512   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3548    2.3271   -1.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6534    1.7805   -0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4113    3.5361    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284    1.8959    0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    2.4625   -1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8375    0.0086   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8044   -0.0289   -1.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5119   -0.7644    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7425   -2.3288   -1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1386   -0.9816   -3.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112    0.5491   -2.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4744   -0.4471   -2.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -3.1198   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3477   -1.9211   -1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -0.1526    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6060    0.0182   -1.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -0.1783   -2.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    3.7058   -1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8048    2.5613    0.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717    3.3858    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6489    2.5172   -1.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110    1.0176    0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6916    0.9271    2.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342   -0.7982   -0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393    0.1521   -2.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719   -3.4234    0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6029   -2.2700    1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854   -1.1893    2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201   -3.7894    2.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3441   -2.2863    1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613   -4.4875    0.4982 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
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 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
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 19 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 10  2  1  0
 35 17  1  0
 29 22  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
  9 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 15 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
 22 60  1  0
 24 61  1  0
 24 62  1  0
 25 63  1  0
 26 64  1  0
 27 65  1  0
 28 66  1  0
 29 67  1  0
 30 68  1  0
 31 69  1  0
 32 70  1  0
 33 71  1  0
 34 72  1  0
 35 73  1  0
 36 74  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₄H₃₈O₁₂

Average Molecular Weight

518.5513

Monoisotopic Molecular Weight

518.23632668

IUPAC Name

4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one

Traditional Name

4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one

CAS Registry Number

126221-59-8

SMILES

CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C

InChI Identifier

InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3/b6-5+

InChI Key

ZHAMWJWQXSZIAQ-AATRIKPKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Cyclofarsesane sesquiterpenoid
Megastigmane sesquiterpenoid
Sesquiterpenoid
Ionone derivative
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Cyclohexenone
Oxane
Tertiary alcohol
Ketone
Cyclic ketone
Secondary alcohol
Organoheterocyclic compound
Acetal
Oxacycle
Polyol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0035520)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035520)

Source

Endogenous

Endogenous (HMDB: HMDB0035520)

Plant

Plant (HMDB: HMDB0035520)

Animal

Animal (HMDB: HMDB0035520)

Exogenous

Food

Food (HMDB: HMDB0035520)

Fruit

Pome

Malus (Crab apple) (FooDB: FOOD00343)
Pomes (FooDB: FOOD00856)

Exogenous (HMDB: HMDB0035520)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0035520)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0035520)

Lipid metabolism pathway (HMDB: HMDB0035520)

Cellular process

Cell signaling (HMDB: HMDB0035520)

Biochemical process

Lipid transport (HMDB: HMDB0035520)

Role

Biological role

Energy source (HMDB: HMDB0035520)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0035520)

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	3.2 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-1.5	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	195.6 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	123.79 m³·mol⁻¹	ChemAxon
Polarizability	53.2 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]+	215.559	31661259
DarkChem	[M-H]-	211.316	31661259
DeepCCS	[M+H]+	218.053	30932474
DeepCCS	[M-H]-	215.658	30932474
DeepCCS	[M-2H]-	248.541	30932474
DeepCCS	[M+Na]+	223.966	30932474
AllCCS	[M+H]+	223.6	32859911
AllCCS	[M+H-H2O]+	222.1	32859911
AllCCS	[M+NH4]+	225.0	32859911
AllCCS	[M+Na]+	225.4	32859911
AllCCS	[M-H]-	215.5	32859911
AllCCS	[M+Na-2H]-	217.4	32859911
AllCCS	[M+HCOO]-	219.7	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.82 minutes	32390414
Predicted by Siyang on May 30, 2022	10.8829 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	5.08 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	243.0 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1699.3 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	190.0 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	87.5 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	176.5 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	67.9 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	336.6 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	353.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	277.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	732.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	166.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	948.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	224.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	224.7 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	344.2 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	320.7 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	49.3 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Vomifoliol 9-[xylosyl-(1->6)-glucoside]	CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	4781.5	Standard polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside]	CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	3736.9	Standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside]	CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C	4021.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4048.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4001.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4006.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #4	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4039.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #5	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4016.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #6	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4021.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #7	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	4090.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TMS,isomer #8	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	4004.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	4014.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #10	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3923.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #11	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3883.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #12	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3907.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #13	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3861.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #14	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3979.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #15	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3943.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #16	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3902.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #17	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3933.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #18	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3910.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #19	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	4017.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3940.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #20	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3947.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #21	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3945.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #22	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3939.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #23	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3967.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #24	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3950.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #25	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3881.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #26	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3998.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #27	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3928.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #28	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3978.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3935.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #4	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3971.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #5	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3928.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #6	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3956.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #7	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	3935.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #8	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3952.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TMS,isomer #9	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3917.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3871.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #10	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3822.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #11	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3766.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #12	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3854.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #13	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3797.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #14	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3846.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #15	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3787.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #16	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3830.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #17	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3839.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #18	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3832.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #19	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3837.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3895.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #20	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3751.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #21	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3829.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #22	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3854.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #23	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3855.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #24	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3813.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #25	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3838.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #26	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3783.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #27	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3819.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #28	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3764.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #29	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3811.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3922.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #30	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3751.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #31	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3764.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #32	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3779.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #33	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3742.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #34	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3775.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #35	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3680.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #36	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3742.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #37	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3897.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #38	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3841.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #39	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3885.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #4	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3868.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #40	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3853.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #41	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3813.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #42	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3820.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #43	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3817.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #44	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3823.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #45	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3742.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #46	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3810.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #47	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3885.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #48	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3894.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #49	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3881.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #5	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3910.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #50	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3865.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #51	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3779.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #52	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3799.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #53	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3890.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #54	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3809.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #55	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3793.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #56	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3879.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #6	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3871.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #7	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3880.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #8	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3830.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TMS,isomer #9	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3774.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3827.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #10	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3774.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #11	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3783.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #12	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3750.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #13	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3772.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #14	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3685.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #15	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3737.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #16	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3792.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #17	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3739.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #18	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3776.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #19	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3727.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3764.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #20	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3702.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #21	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3701.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #22	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3664.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #23	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3696.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #24	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3601.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #25	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3650.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #26	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3733.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #27	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3738.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #28	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3701.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #29	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3735.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3726.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #30	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3637.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #31	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3689.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #32	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3747.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #33	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3668.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #34	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3682.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #35	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3668.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #36	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3765.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #37	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3725.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #38	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3745.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #39	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3699.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #4	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3742.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #40	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3718.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #41	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3720.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #42	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3666.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #43	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3712.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #44	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3628.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #45	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3649.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #46	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3701.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #47	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3701.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #48	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3672.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #49	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3697.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #5	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3689.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #50	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3612.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #51	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3659.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #52	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3687.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #53	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3596.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #54	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3607.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #55	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3594.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #56	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3763.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #57	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3772.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #58	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3736.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #59	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3763.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #6	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3819.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #60	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3669.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #61	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3721.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #62	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3736.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #63	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3656.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #64	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3671.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #65	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3659.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #66	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3796.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #67	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3716.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #68	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3732.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #69	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3703.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #7	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3769.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #70	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3720.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #8	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3799.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],4TMS,isomer #9	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3743.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3727.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #10	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3562.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #11	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3691.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #12	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3690.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #13	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3634.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #14	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3684.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #15	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3590.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #16	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3613.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #17	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3683.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #18	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3596.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #19	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3602.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3681.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #20	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3595.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #21	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3662.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #22	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3655.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #23	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3624.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #24	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3650.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #25	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3563.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #26	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3603.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #27	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3608.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #28	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3523.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #29	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3526.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3698.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #30	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3522.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #31	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3665.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #32	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3571.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #33	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3576.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #34	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3568.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #35	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3588.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #36	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3641.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #37	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3641.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #38	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3599.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #39	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3635.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #4	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3652.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #40	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3557.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #41	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3577.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #42	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3616.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #43	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3536.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #44	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3541.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #45	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3531.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #46	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3624.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #47	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3542.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #48	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3547.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #49	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3543.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #5	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3630.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #50	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3515.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #51	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3668.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #52	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3578.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #53	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3585.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #54	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3576.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #55	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3577.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #56	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3625.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #6	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3629.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #7	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3583.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #8	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3622.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],5TMS,isomer #9	CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3542.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	4266.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4219.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4231.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #4	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4257.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #5	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4230.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #6	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4242.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #7	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4294.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],1TBDMS,isomer #8	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	4213.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4434.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #10	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4338.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #11	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4310.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #12	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4328.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #13	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4251.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #14	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4394.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #15	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4352.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #16	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4325.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #17	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4340.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #18	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4292.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #19	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4422.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4360.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #20	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4372.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #21	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4370.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #22	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4321.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #23	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4400.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #24	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4380.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #25	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4279.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #26	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4414.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #27	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4319.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #28	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4400.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4367.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #4	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4384.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #5	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4359.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #6	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4374.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #7	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	4324.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #8	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4383.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],2TBDMS,isomer #9	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4352.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #1	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4479.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #10	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4440.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #11	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4326.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #12	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4483.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #13	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4462.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #14	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4467.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #15	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4357.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #16	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4487.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #17	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4475.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #18	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4373.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #19	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4481.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #2	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4507.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #20	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4333.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #21	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4360.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #22	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4474.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #23	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4482.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #24	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4475.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #25	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4467.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #26	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4366.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #27	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4460.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #28	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4437.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #29	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4441.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #3	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4526.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #30	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4329.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #31	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4438.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #32	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4424.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #33	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4306.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #34	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4431.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #35	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4277.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #36	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4294.8	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #37	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4497.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #38	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4483.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #39	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4481.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #4	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4511.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #40	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4414.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #41	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[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)C1O	4452.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #42	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4442.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #43	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4351.2	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #44	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4449.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #45	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4313.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #46	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4339.7	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #47	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4525.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #48	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4509.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #49	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4452.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #5	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4510.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #50	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4506.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #51	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4368.3	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #52	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4362.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #53	CC1=CC(=O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4524.0	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #54	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4409.4	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #55	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4364.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #56	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4439.6	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #6	CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4435.9	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #7	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(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)C(O)C(O)C1O	4508.5	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #8	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4459.1	Semi standard non polar	33892256
Vomifoliol 9-[xylosyl-(1->6)-glucoside],3TBDMS,isomer #9	CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4436.5	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 - Vomifoliol 9-[xylosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-0zfr-5692670000-278e16ea89448332f4cc	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] GC-MS (2 TMS) - 70eV, Positive	splash10-0002-3342219000-39b56697493372f1e99d	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0kxr-1191060000-000d55dc199e9ac7d2f3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0a6r-2391000000-77d382ed86657b7183b4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0a6r-8790000000-acf36d1fd88c989a21ae	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-01ba-2792240000-97b251f76fdd595fcf1e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-00ea-2691100000-6b042ab13da62e484e6a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-05fu-7590000000-001671a5d6a180f1f8f2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0pwi-0988760000-05cefef2585eacbb3ccf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0ar0-2593010000-b1aa92735c5dac75f88c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0a4l-9471000000-470ea8a77efc5b0827cd	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-014i-0231590000-f1b915891737591d8db8	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-0mmr-4915500000-3cef3d3123bc2c891477	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0a4i-6790200000-3f78c0a255ee062c2bf0	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
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

FDB014212

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

14466051

PDB ID

Not Available

ChEBI ID

168188

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 Vomifoliol 9-[xylosyl-(1->6)-glucoside] (HMDB0035520)

MOL for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

3D MOL for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

3D SDF for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

3D-SDF for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

PDB for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

3D PDB for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

SMILES for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

INCHI for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

Structure for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

3D Structure for HMDB0035520 (Vomifoliol 9-[xylosyl-(1->6)-glucoside])

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra