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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:54:06 UTC

Update Date

2022-03-07 02:56:56 UTC

HMDB ID

HMDB0041235

Secondary Accession Numbers

HMDB41235

Metabolite Identification

Common Name

6''-O-Acetylvicenin 1

Description

6''-O-Acetylvicenin 1 belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 6''-O-Acetylvicenin 1 has been detected, but not quantified in, green vegetables. This could make 6''-O-acetylvicenin 1 a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6''-O-Acetylvicenin 1.

Structure

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


  Mrv0541 05061312292D          

 43 47  0  0  0  0            999 V2000
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
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 11  4  2  0  0  0  0
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 14 10  1  0  0  0  0
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 16 12  1  0  0  0  0
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 40  9  1  0  0  0  0
 41  7  1  0  0  0  0
 41 27  1  0  0  0  0
 42 14  1  0  0  0  0
 42 26  1  0  0  0  0
 43 15  1  0  0  0  0
 43 28  1  0  0  0  0
M  END

HMDB0041235
     RDKit          3D
6''-O-Acetylvicenin 1
 73 77  0  0  0  0  0  0  0  0999 V2000
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 43 73  1  0
M  END


  Mrv0541 05061312292D          

 43 47  0  0  0  0            999 V2000
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    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 16  1  0  0  0  0
 26 18  2  0  0  0  0
 27 17  1  0  0  0  0
 27 24  1  0  0  0  0
 28 18  1  0  0  0  0
 28 25  1  0  0  0  0
 29  9  2  0  0  0  0
 30 11  1  0  0  0  0
 31 12  2  0  0  0  0
 32 13  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 38 24  1  0  0  0  0
 39 25  1  0  0  0  0
 40  8  1  0  0  0  0
 40  9  1  0  0  0  0
 41  7  1  0  0  0  0
 41 27  1  0  0  0  0
 42 14  1  0  0  0  0
 42 26  1  0  0  0  0
 43 15  1  0  0  0  0
 43 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041235

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3

> <INCHI_KEY>
AIQCDEJOKQHKMO-UHFFFAOYSA-N

> <FORMULA>
C28H30O15

> <MOLECULAR_WEIGHT>
606.5288

> <EXACT_MASS>
606.15847029

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
58.8193404641592

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

> <ALOGPS_LOGP>
-0.21

> <JCHEM_LOGP>
-1.7364923240000003

> <ALOGPS_LOGS>
-2.17

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.477561853482879

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.763585340407979

> <JCHEM_PKA_STRONGEST_BASIC>
-3.643190217937482

> <JCHEM_POLAR_SURFACE_AREA>
253.1299999999999

> <JCHEM_REFRACTIVITY>
142.3395

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041235
     RDKit          3D
6''-O-Acetylvicenin 1
 73 77  0  0  0  0  0  0  0  0999 V2000
   -7.3556   -2.0130    1.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8887   -2.1569    2.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3999   -3.0029    2.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9760   -1.3207    1.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5817   -1.4289    1.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522   -0.3507    0.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062   -0.2871    0.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482   -0.9725   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260   -0.4103   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079   -1.2944    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -2.6568    0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -0.8351    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783   -1.8408    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -2.4217   -0.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786   -3.3213   -1.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2340   -3.3961   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701   -2.9819   -1.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799   -2.6172    0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5348   -3.3519    1.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3391   -1.3294    0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828   -0.8567   -0.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1493    0.5143    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    0.9612    0.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145    1.4234    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2973    2.7802    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4152    3.2804    0.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1533    3.5793    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0988    3.0688    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    3.9751   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5433    3.4471   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6372    4.2706   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    5.6445   -0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6319    6.4720   -0.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    6.1670   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    5.3422   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278    1.7552   -0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    0.9286    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -0.6762   -1.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946   -1.9763   -2.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369   -0.0571   -1.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2106   -0.6341   -2.9224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820   -0.3645   -0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6763    0.5163   -0.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8522   -2.9651    2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6974   -1.2612    2.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6322   -1.7095    0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2692   -2.4290    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2751   -1.1305    2.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3381    0.6020    1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8346   -2.0356    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108   -3.3329    0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996   -2.6622    1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3265   -3.1223   -2.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420   -4.3766   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4329   -4.4603   -0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2014   -3.4540   -0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1901   -2.3381    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -4.1332    1.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5074   -0.6964    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8261   -0.5681   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817    1.7916    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    4.6359    0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5904    2.3637   -0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6219    3.8051   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9435    6.7832   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    7.2619   -0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765    5.7990    0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547   -0.1693   -2.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -2.6281   -1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5916    1.0170   -1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3163   -1.6087   -2.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184   -1.3748   -0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8120    0.8249   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 12 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 28 36  1  0
 36 37  1  0
  8 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  6  1  0
 37  9  1  0
 20 13  1  0
 37 24  2  0
 35 29  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  8 50  1  0
 11 51  1  0
 13 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 21 60  1  0
 23 61  1  0
 27 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
 43 73  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.668   8.470   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    4   10                                                       
CONECT    3    5   10                                                       
CONECT    4    2   11                                                       
CONECT    5    3   11                                                       
CONECT    6   12   14                                                       
CONECT    7   13   41                                                       
CONECT    8   15   40                                                       
CONECT    9    1   29   40                                                  
CONECT   10    2    3   14                                                  
CONECT   11    4    5   30                                                  
CONECT   12    6   16   31                                                  
CONECT   13    7   19   32                                                  
CONECT   14    6   10   42                                                  
CONECT   15    8   20   43                                                  
CONECT   16   12   21   26                                                  
CONECT   17   21   22   27                                                  
CONECT   18   22   26   28                                                  
CONECT   19   13   24   33                                                  
CONECT   20   15   23   34                                                  
CONECT   21   16   17   35                                                  
CONECT   22   17   18   36                                                  
CONECT   23   20   25   37                                                  
CONECT   24   19   27   38                                                  
CONECT   25   23   28   39                                                  
CONECT   26   16   18   42                                                  
CONECT   27   17   24   41                                                  
CONECT   28   18   25   43                                                  
CONECT   29    9                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   13                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38   24                                                            
CONECT   39   25                                                            
CONECT   40    8    9                                                       
CONECT   41    7   27                                                       
CONECT   42   14   26                                                       
CONECT   43   15   28                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0041235
HETATM    1  C1  UNL     1      -7.356  -2.013   1.885  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.889  -2.157   2.112  1.00  0.00           C  
HETATM    3  O1  UNL     1      -5.400  -3.003   2.889  1.00  0.00           O  
HETATM    4  O2  UNL     1      -4.976  -1.321   1.436  1.00  0.00           O  
HETATM    5  C3  UNL     1      -3.582  -1.429   1.634  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.952  -0.351   0.729  1.00  0.00           C  
HETATM    7  O3  UNL     1      -1.606  -0.287   0.802  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.848  -0.973  -0.142  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.526  -0.410  -0.034  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.608  -1.294   0.093  1.00  0.00           C  
HETATM   11  O4  UNL     1       1.284  -2.657   0.021  1.00  0.00           O  
HETATM   12  C8  UNL     1       2.886  -0.835   0.271  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.978  -1.841   0.286  1.00  0.00           C  
HETATM   14  O5  UNL     1       4.036  -2.422  -0.982  1.00  0.00           O  
HETATM   15  C10 UNL     1       4.979  -3.321  -1.236  1.00  0.00           C  
HETATM   16  C11 UNL     1       6.234  -3.396  -0.451  1.00  0.00           C  
HETATM   17  O6  UNL     1       7.370  -2.982  -1.178  1.00  0.00           O  
HETATM   18  C12 UNL     1       6.180  -2.617   0.846  1.00  0.00           C  
HETATM   19  O7  UNL     1       5.535  -3.352   1.810  1.00  0.00           O  
HETATM   20  C13 UNL     1       5.339  -1.329   0.584  1.00  0.00           C  
HETATM   21  O8  UNL     1       5.883  -0.857  -0.641  1.00  0.00           O  
HETATM   22  C14 UNL     1       3.149   0.514   0.338  1.00  0.00           C  
HETATM   23  O9  UNL     1       4.430   0.961   0.517  1.00  0.00           O  
HETATM   24  C15 UNL     1       2.114   1.423   0.225  1.00  0.00           C  
HETATM   25  C16 UNL     1       2.297   2.780   0.312  1.00  0.00           C  
HETATM   26  O10 UNL     1       3.415   3.280   0.475  1.00  0.00           O  
HETATM   27  C17 UNL     1       1.153   3.579   0.205  1.00  0.00           C  
HETATM   28  C18 UNL     1      -0.099   3.069   0.022  1.00  0.00           C  
HETATM   29  C19 UNL     1      -1.263   3.975  -0.083  1.00  0.00           C  
HETATM   30  C20 UNL     1      -2.543   3.447  -0.235  1.00  0.00           C  
HETATM   31  C21 UNL     1      -3.637   4.271  -0.365  1.00  0.00           C  
HETATM   32  C22 UNL     1      -3.533   5.644  -0.351  1.00  0.00           C  
HETATM   33  O11 UNL     1      -4.632   6.472  -0.486  1.00  0.00           O  
HETATM   34  C23 UNL     1      -2.272   6.167  -0.200  1.00  0.00           C  
HETATM   35  C24 UNL     1      -1.155   5.342  -0.068  1.00  0.00           C  
HETATM   36  O12 UNL     1      -0.228   1.755  -0.057  1.00  0.00           O  
HETATM   37  C25 UNL     1       0.816   0.929   0.040  1.00  0.00           C  
HETATM   38  C26 UNL     1      -1.315  -0.676  -1.551  1.00  0.00           C  
HETATM   39  O13 UNL     1      -1.395  -1.976  -2.203  1.00  0.00           O  
HETATM   40  C27 UNL     1      -2.637  -0.057  -1.741  1.00  0.00           C  
HETATM   41  O14 UNL     1      -3.211  -0.634  -2.922  1.00  0.00           O  
HETATM   42  C28 UNL     1      -3.582  -0.365  -0.624  1.00  0.00           C  
HETATM   43  O15 UNL     1      -4.676   0.516  -0.740  1.00  0.00           O  
HETATM   44  H1  UNL     1      -7.852  -2.965   2.141  1.00  0.00           H  
HETATM   45  H2  UNL     1      -7.697  -1.261   2.662  1.00  0.00           H  
HETATM   46  H3  UNL     1      -7.632  -1.710   0.882  1.00  0.00           H  
HETATM   47  H4  UNL     1      -3.269  -2.429   1.335  1.00  0.00           H  
HETATM   48  H5  UNL     1      -3.275  -1.130   2.670  1.00  0.00           H  
HETATM   49  H6  UNL     1      -3.338   0.602   1.222  1.00  0.00           H  
HETATM   50  H7  UNL     1      -0.835  -2.036   0.092  1.00  0.00           H  
HETATM   51  H8  UNL     1       2.011  -3.333   0.109  1.00  0.00           H  
HETATM   52  H9  UNL     1       3.700  -2.662   1.019  1.00  0.00           H  
HETATM   53  H10 UNL     1       5.327  -3.122  -2.322  1.00  0.00           H  
HETATM   54  H11 UNL     1       4.542  -4.377  -1.363  1.00  0.00           H  
HETATM   55  H12 UNL     1       6.433  -4.460  -0.187  1.00  0.00           H  
HETATM   56  H13 UNL     1       8.201  -3.454  -0.863  1.00  0.00           H  
HETATM   57  H14 UNL     1       7.190  -2.338   1.137  1.00  0.00           H  
HETATM   58  H15 UNL     1       5.058  -4.133   1.384  1.00  0.00           H  
HETATM   59  H16 UNL     1       5.507  -0.696   1.427  1.00  0.00           H  
HETATM   60  H17 UNL     1       6.826  -0.568  -0.493  1.00  0.00           H  
HETATM   61  H18 UNL     1       4.882   1.792   0.604  1.00  0.00           H  
HETATM   62  H19 UNL     1       1.324   4.636   0.283  1.00  0.00           H  
HETATM   63  H20 UNL     1      -2.590   2.364  -0.201  1.00  0.00           H  
HETATM   64  H21 UNL     1      -4.622   3.805  -0.493  1.00  0.00           H  
HETATM   65  H22 UNL     1      -4.943   6.783  -1.391  1.00  0.00           H  
HETATM   66  H23 UNL     1      -2.142   7.262  -0.175  1.00  0.00           H  
HETATM   67  H24 UNL     1      -0.176   5.799   0.064  1.00  0.00           H  
HETATM   68  H25 UNL     1      -0.555  -0.169  -2.172  1.00  0.00           H  
HETATM   69  H26 UNL     1      -1.762  -2.628  -1.528  1.00  0.00           H  
HETATM   70  H27 UNL     1      -2.592   1.017  -1.910  1.00  0.00           H  
HETATM   71  H28 UNL     1      -3.316  -1.609  -2.695  1.00  0.00           H  
HETATM   72  H29 UNL     1      -4.018  -1.375  -0.812  1.00  0.00           H  
HETATM   73  H30 UNL     1      -4.812   0.825  -1.667  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6   47   48
CONECT    6    7   42   49
CONECT    7    8
CONECT    8    9   38   50
CONECT    9   10   10   37
CONECT   10   11   12
CONECT   11   51
CONECT   12   13   22   22
CONECT   13   14   20   52
CONECT   14   15
CONECT   15   16   53   54
CONECT   16   17   18   55
CONECT   17   56
CONECT   18   19   20   57
CONECT   19   58
CONECT   20   21   59
CONECT   21   60
CONECT   22   23   24
CONECT   23   61
CONECT   24   25   37   37
CONECT   25   26   26   27
CONECT   27   28   28   62
CONECT   28   29   36
CONECT   29   30   30   35
CONECT   30   31   63
CONECT   31   32   32   64
CONECT   32   33   34
CONECT   33   65
CONECT   34   35   35   66
CONECT   35   67
CONECT   36   37
CONECT   38   39   40   68
CONECT   39   69
CONECT   40   41   42   70
CONECT   41   71
CONECT   42   43   72
CONECT   43   73
END

HMDB0041235
     RDKit          3D
6''-O-Acetylvicenin 1
 73 77  0  0  0  0  0  0  0  0999 V2000
   -7.3556   -2.0130    1.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8887   -2.1569    2.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3999   -3.0029    2.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9760   -1.3207    1.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5817   -1.4289    1.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522   -0.3507    0.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062   -0.2871    0.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482   -0.9725   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260   -0.4103   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079   -1.2944    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -2.6568    0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -0.8351    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783   -1.8408    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -2.4217   -0.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786   -3.3213   -1.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2340   -3.3961   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701   -2.9819   -1.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799   -2.6172    0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5348   -3.3519    1.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3391   -1.3294    0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828   -0.8567   -0.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1493    0.5143    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    0.9612    0.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145    1.4234    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2973    2.7802    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4152    3.2804    0.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1533    3.5793    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0988    3.0688    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    3.9751   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5433    3.4471   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6372    4.2706   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    5.6445   -0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6319    6.4720   -0.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    6.1670   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    5.3422   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278    1.7552   -0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    0.9286    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -0.6762   -1.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946   -1.9763   -2.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369   -0.0571   -1.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2106   -0.6341   -2.9224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820   -0.3645   -0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6763    0.5163   -0.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8522   -2.9651    2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6974   -1.2612    2.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6322   -1.7095    0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2692   -2.4290    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2751   -1.1305    2.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3381    0.6020    1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8346   -2.0356    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108   -3.3329    0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996   -2.6622    1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3265   -3.1223   -2.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420   -4.3766   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4329   -4.4603   -0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2014   -3.4540   -0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1901   -2.3381    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -4.1332    1.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5074   -0.6964    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8261   -0.5681   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817    1.7916    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    4.6359    0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5904    2.3637   -0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6219    3.8051   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9435    6.7832   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    7.2619   -0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765    5.7990    0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547   -0.1693   -2.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -2.6281   -1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5916    1.0170   -1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3163   -1.6087   -2.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184   -1.3748   -0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8120    0.8249   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 12 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 28 36  1  0
 36 37  1  0
  8 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  6  1  0
 37  9  1  0
 20 13  1  0
 37 24  2  0
 35 29  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  8 50  1  0
 11 51  1  0
 13 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 21 60  1  0
 23 61  1  0
 27 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
 43 73  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Vicenin-1 6''-O-acetate	HMDB
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetic acid	Generator

Chemical Formula

C₂₈H₃₀O₁₅

Average Molecular Weight

606.5288

Monoisotopic Molecular Weight

606.15847029

IUPAC Name

{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Traditional Name

{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

CAS Registry Number

163345-99-1

SMILES

CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3

InChI Key

AIQCDEJOKQHKMO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid 8-C-glycosides

Alternative Parents

Substituents

Flavonoid-8-c-glycoside
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Glycosyl compound
Chromone
C-glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Oxane
Pyran
Heteroaromatic compound
Vinylogous acid
Carboxylic acid ester
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Dialkyl ether
Ether
Hydrocarbon derivative
Carbonyl group
Alcohol
Organooxygen compound
Organic oxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041235)
Cytoplasm (HMDB: HMDB0041235)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0041235)

Source

Exogenous

Food

Food (HMDB: HMDB0041235)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0041235)

Not Available

Nutrient (HMDB: HMDB0041235)

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	4.14 g/L	ALOGPS
logP	-0.21	ALOGPS
logP	-1.7	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	5.76	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	253.13 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	142.34 m³·mol⁻¹	ChemAxon
Polarizability	58.82 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	223.898	30932474
DeepCCS	[M-H]-	221.944	30932474
DeepCCS	[M-2H]-	255.184	30932474
DeepCCS	[M+Na]+	229.81	30932474
AllCCS	[M+H]+	235.4	32859911
AllCCS	[M+H-H2O]+	234.0	32859911
AllCCS	[M+NH4]+	236.6	32859911
AllCCS	[M+Na]+	237.0	32859911
AllCCS	[M-H]-	236.8	32859911
AllCCS	[M+Na-2H]-	239.3	32859911
AllCCS	[M+HCOO]-	242.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6''-O-Acetylvicenin 1	CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1	5459.9	Standard polar	33892256
6''-O-Acetylvicenin 1	CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1	4155.7	Standard non polar	33892256
6''-O-Acetylvicenin 1	CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1	5781.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6''-O-Acetylvicenin 1,1TMS,isomer #1	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5428.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #2	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5448.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #3	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5437.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #4	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5411.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #5	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5442.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #6	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5447.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #7	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5429.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #8	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5406.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TMS,isomer #9	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5459.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #1	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5339.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #10	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5389.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #11	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5380.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #12	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5374.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #13	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5370.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #14	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5402.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #15	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5426.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #16	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5349.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #17	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5395.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #18	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5385.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #19	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5380.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #2	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5382.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #20	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5375.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #21	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5413.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #22	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5343.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #23	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5387.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #24	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5372.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #25	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5363.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #26	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5395.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #27	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5357.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #28	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5421.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #29	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5399.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #3	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5370.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #30	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5410.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #31	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5347.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #32	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5402.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #33	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5392.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #34	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5336.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #35	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5393.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #36	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5374.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #4	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5369.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #5	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5362.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #6	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5403.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #7	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5409.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #8	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5401.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TMS,isomer #9	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5347.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #1	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5207.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #10	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5227.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #11	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5296.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #12	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5293.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #13	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5293.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #14	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5267.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #15	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5193.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #16	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5254.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #17	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5262.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #18	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5264.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #19	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5212.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #2	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5174.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #20	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5278.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #21	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5282.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #22	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5280.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #23	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5250.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #24	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5236.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #25	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5238.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #26	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5303.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #27	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5305.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #28	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5344.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #29	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5193.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #3	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5195.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #30	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5150.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #31	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5180.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #32	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5178.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #33	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5210.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #34	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5227.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #35	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5276.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #36	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5259.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #37	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5217.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #38	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5280.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #39	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5297.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #4	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5194.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #40	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5259.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #41	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5177.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #42	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5234.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #43	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5269.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #44	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5202.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #45	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5261.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #46	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5287.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #47	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5231.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #48	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5242.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #49	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5314.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #5	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5232.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #50	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5216.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #51	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5181.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #52	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5200.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #53	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5196.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #54	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5237.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #55	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5304.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #56	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5286.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #57	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5242.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #58	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5310.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #59	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5284.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #6	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5224.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #60	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5208.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #61	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5268.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #62	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5226.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #63	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5291.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #64	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5261.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #65	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5216.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #66	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5178.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #67	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5199.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #68	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5241.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #69	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5250.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #7	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5225.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #70	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5242.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #71	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5265.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #72	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5232.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #73	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5223.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #74	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5253.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #75	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5224.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #76	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5217.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #77	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5240.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #78	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5344.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #79	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5310.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #8	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5289.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #80	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5291.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #81	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5211.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #82	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5201.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #83	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5289.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #84	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5229.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,3TMS,isomer #9	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5268.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #1	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5081.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #10	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5056.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #100	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5094.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #101	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5083.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #102	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5202.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #103	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5100.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #104	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5166.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #105	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5111.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #106	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5167.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #107	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5123.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #108	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5098.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #109	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5160.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #11	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5064.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #110	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5072.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #111	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5113.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #112	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5059.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #113	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5069.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #114	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5098.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #115	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5048.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #116	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5040.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #117	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5078.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #118	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5151.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #119	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5126.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #12	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5044.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #120	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5138.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #121	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5125.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #122	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5130.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #123	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5105.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #124	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5119.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #125	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5210.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #126	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5109.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #13	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5099.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #14	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5087.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #15	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5093.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #16	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5087.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #17	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5059.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #18	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5074.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #19	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5120.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #2	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5089.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #20	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5125.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #21	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5137.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #22	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5192.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #23	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5098.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #24	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5156.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #25	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5158.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #26	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5163.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #27	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5108.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #28	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5156.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #29	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5167.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #3	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5056.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #30	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5171.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #31	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5118.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #32	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5107.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #33	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5117.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #34	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5174.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #35	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5177.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #36	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5199.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #37	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5094.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #38	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5152.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #39	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5162.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #4	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5107.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #40	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5166.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #41	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5069.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #42	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5068.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #43	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5080.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #44	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5126.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #45	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5129.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #46	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5163.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #47	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5109.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #48	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5099.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #49	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5108.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #5	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5093.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #50	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5159.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #51	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5161.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #52	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5193.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #53	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5127.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #54	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5133.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #55	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5143.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #56	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5215.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #57	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5060.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #58	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5072.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #59	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5025.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #6	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5100.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #60	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5081.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #61	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5092.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #62	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5060.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #63	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	4981.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #64	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5044.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #65	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5057.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #66	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5013.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #67	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5069.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #68	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5087.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #69	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5060.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #7	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5079.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #70	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5061.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #71	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5119.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #72	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5173.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #73	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5079.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #74	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5141.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #75	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5162.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #76	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5090.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #77	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5144.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #78	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5172.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #79	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5095.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #8	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5000.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #80	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5111.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #81	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5178.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #82	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5078.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #83	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5137.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #84	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5167.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #85	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5056.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #86	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5075.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #87	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5134.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #88	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O	5081.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #89	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5103.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #9	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O	5061.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #90	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5164.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #91	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5132.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #92	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5078.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #93	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5087.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #94	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5051.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #95	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O[Si](C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5103.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #96	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5077.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #97	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	4997.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #98	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5058.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,4TMS,isomer #99	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C	5041.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #1	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5684.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #2	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5695.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #3	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5683.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #4	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5643.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #5	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5693.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #6	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5696.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #7	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5685.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #8	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5633.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,1TBDMS,isomer #9	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5671.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #1	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5750.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #10	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5830.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #11	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5813.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #12	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5813.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #13	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5782.5	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #14	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5837.2	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #15	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5842.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #16	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5744.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #17	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5825.3	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #18	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5807.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #19	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5812.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #2	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5826.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #20	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5774.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #21	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5832.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #22	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5749.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #23	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5795.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #24	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5781.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #25	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5776.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #26	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5804.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #27	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5763.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #28	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5841.8	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #29	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5835.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #3	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5810.6	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #30	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5842.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #31	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5752.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #32	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5829.4	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #33	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5821.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #34	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)C1O	5743.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #35	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5821.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #36	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O)C(O)C1O	5778.9	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #4	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5813.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #5	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5776.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #6	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5832.1	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #7	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5838.7	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #8	CC(=O)OCC1OC(C2=C(O)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5841.0	Semi standard non polar	33892256
6''-O-Acetylvicenin 1,2TBDMS,isomer #9	CC(=O)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(C3OCC(O)C(O)C3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5753.2	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 - 6''-O-Acetylvicenin 1 GC-MS (Non-derivatized) - 70eV, Positive	splash10-00mt-1000290000-ec9964c9dd468cf2ea45	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (1 TMS) - 70eV, Positive	splash10-02ta-3000159000-7959e2dfafbd75683d7f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-O-Acetylvicenin 1 GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	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 - 6''-O-Acetylvicenin 1 10V, Positive-QTOF	splash10-052s-1000193000-b8b490742217ddabd6cf	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 20V, Positive-QTOF	splash10-002s-1200290000-1963e47afd402821a733	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 40V, Positive-QTOF	splash10-0170-4004950000-87e9eb1bf5ce02c3f61a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 10V, Negative-QTOF	splash10-0a4i-9000153000-b75800fad5c1fb4eeae2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 20V, Negative-QTOF	splash10-0a4i-9100120000-69e2b51d7af33a9a9c94	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 40V, Negative-QTOF	splash10-0a4l-9000000000-1d92e60f07061acf552e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 10V, Positive-QTOF	splash10-0a4i-0000009000-6feabb8d2de518055df9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 20V, Positive-QTOF	splash10-0a4i-0000009000-6feabb8d2de518055df9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 40V, Positive-QTOF	splash10-052r-0401906000-440bd2fa1deecce85d53	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 10V, Negative-QTOF	splash10-0a4i-0000009000-b25ead197527862d9b94	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 20V, Negative-QTOF	splash10-0a4i-0000009000-52edb1fe2a791855f562	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-O-Acetylvicenin 1 40V, Negative-QTOF	splash10-0a4r-0900512000-f7b1b3f0bf7fbc4d8d18	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FDB021138

KNApSAcK ID

C00014113

Chemspider ID

35015137

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74977477

PDB ID

Not Available

ChEBI ID

Not Available

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

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

Showing metabocard for 6''-O-Acetylvicenin 1 (HMDB0041235)

MOL for HMDB0041235 (6''-O-Acetylvicenin 1)

3D MOL for HMDB0041235 (6''-O-Acetylvicenin 1)

3D SDF for HMDB0041235 (6''-O-Acetylvicenin 1)

3D-SDF for HMDB0041235 (6''-O-Acetylvicenin 1)

PDB for HMDB0041235 (6''-O-Acetylvicenin 1)

3D PDB for HMDB0041235 (6''-O-Acetylvicenin 1)

SMILES for HMDB0041235 (6''-O-Acetylvicenin 1)

INCHI for HMDB0041235 (6''-O-Acetylvicenin 1)

Structure for HMDB0041235 (6''-O-Acetylvicenin 1)

3D Structure for HMDB0041235 (6''-O-Acetylvicenin 1)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra