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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:49:31 UTC

Update Date

2022-03-07 02:55:24 UTC

HMDB ID

HMDB0037574

Secondary Accession Numbers

HMDB37574

Metabolite Identification

Common Name

Biorobin

Description

Biorobin belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Biorobin has been detected, but not quantified in, herbs and spices and pulses. This could make biorobin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Biorobin.

Structure

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

  Mrv0541 05061309522D          

 42 46  0  0  0  0            999 V2000
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    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
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -1.6500    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
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 41 15  1  0  0  0  0
 41 27  1  0  0  0  0
 42 25  1  0  0  0  0
 42 27  1  0  0  0  0
M  END

HMDB0037574
     RDKit          3D
Biorobin
 72 76  0  0  0  0  0  0  0  0999 V2000
    4.9720   -0.0200   -1.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4258    0.3739   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4444    0.5061    0.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024   -0.5748    0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -0.5494   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1723    1.0093    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629    1.2410    1.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786    1.4804    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.5037    1.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469    0.3407    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7356    2.7879   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1672    1.5862   -2.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2630    3.1393    0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842   -1.9147    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1497   -2.9413   -0.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1329   -0.1009    1.1275 O   0  0  0  0  0  0  0  0  0  0  0  0
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 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
M  END

  Mrv0541 05061309522D          

 42 46  0  0  0  0            999 V2000
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    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 11  1  0  0  0  0
 29 12  1  0  0  0  0
 30 13  1  0  0  0  0
 31 17  1  0  0  0  0
 32 18  1  0  0  0  0
 33 19  2  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  8  1  0  0  0  0
 38 26  1  0  0  0  0
 39  9  1  0  0  0  0
 39 26  1  0  0  0  0
 40 14  1  0  0  0  0
 40 24  1  0  0  0  0
 41 15  1  0  0  0  0
 41 27  1  0  0  0  0
 42 25  1  0  0  0  0
 42 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037574

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3

> <INCHI_KEY>
RTATXGUCZHCSNG-UHFFFAOYSA-N

> <FORMULA>
C27H30O15

> <MOLECULAR_WEIGHT>
594.5181

> <EXACT_MASS>
594.15847029

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
56.89049950690541

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

> <ALOGPS_LOGP>
0.07

> <JCHEM_LOGP>
-0.5651956533333328

> <ALOGPS_LOGS>
-2.29

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.440142854592946

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433889540242962

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648686043788379

> <JCHEM_POLAR_SURFACE_AREA>
245.2899999999999

> <JCHEM_REFRACTIVITY>
138.16419999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.07e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037574
     RDKit          3D
Biorobin
 72 76  0  0  0  0  0  0  0  0999 V2000
    4.9720   -0.0200   -1.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4258    0.3739   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4444    0.5061    0.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024   -0.5748    0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -0.5494   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211   -0.3577    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723    1.0093    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629    1.2410    1.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786    1.4804    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.5037    1.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469    0.3407    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0688    0.1869    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5196    1.2220   -0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2033    2.5378   -0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6942    3.4022   -1.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5022    2.9541   -2.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9838    3.8426   -3.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8396    1.6250   -2.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3456    0.7926   -1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7020   -0.9982    0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3618   -1.9849    0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0677   -3.1907    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7324   -4.2468    1.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.4412    1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7012   -4.1366    2.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9627   -2.9453    2.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482   -2.8582    3.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3251   -1.9051    1.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549   -0.7082    1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6977   -0.4699    2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356    2.7879   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904    3.6516    0.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5258    2.5273   -1.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5862   -2.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    2.0510   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630    3.1393    0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842   -1.9147    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248   -2.6189    1.8166 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7468   -1.9336    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1497   -2.9413   -0.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3974   -0.6722    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329   -0.1009    1.1275 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8537    0.1495   -2.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578    0.5642   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8197   -1.1377   -1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0115    1.3151   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861   -0.4590    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361   -1.1692    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -0.4382   -0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969    1.0757    1.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0376    0.6429   -0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5974    2.9115    0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    4.4441   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3827    3.9485   -4.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4777    1.2283   -3.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6236   -0.2578   -1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8716   -3.2319    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1013   -6.1179    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4284   -4.9721    3.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485   -2.1488    3.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999    3.2703   -0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453    3.1765    1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7965    3.5159   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    1.6564   -2.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    1.5609   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    2.9844    1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366   -2.5322   -0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6981   -2.8521    2.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2302   -2.2582    1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1088   -2.8721   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495   -0.8270   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6933    0.6368    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  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  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 12 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  2  0
  9 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  7  1  0
 29 11  1  0
 19 13  1  0
 28 21  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  6 48  1  0
  6 49  1  0
  7 50  1  0
  9 51  1  0
 14 52  1  0
 15 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 22 57  1  0
 24 58  1  0
 25 59  1  0
 27 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  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      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -0.770   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       8.002   0.000   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      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   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       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667 -12.320   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.000 -13.860   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.667 -12.320   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       5.335  -3.080   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   13                                                       
CONECT    7   12   14                                                       
CONECT    8   15   38                                                       
CONECT    9    1   17   39                                                  
CONECT   10    2    3   24                                                  
CONECT   11    4    5   28                                                  
CONECT   12    6    7   29                                                  
CONECT   13    6   16   30                                                  
CONECT   14    7   16   40                                                  
CONECT   15    8   18   41                                                  
CONECT   16   13   14   19                                                  
CONECT   17    9   20   31                                                  
CONECT   18   15   21   32                                                  
CONECT   19   16   25   33                                                  
CONECT   20   17   22   34                                                  
CONECT   21   18   23   35                                                  
CONECT   22   20   26   36                                                  
CONECT   23   21   27   37                                                  
CONECT   24   10   25   40                                                  
CONECT   25   19   24   42                                                  
CONECT   26   22   38   39                                                  
CONECT   27   23   41   42                                                  
CONECT   28   11                                                            
CONECT   29   12                                                            
CONECT   30   13                                                            
CONECT   31   17                                                            
CONECT   32   18                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38    8   26                                                       
CONECT   39    9   26                                                       
CONECT   40   14   24                                                       
CONECT   41   15   27                                                       
CONECT   42   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0255586
HETATM    1  C1  UNL     1      -7.573   0.968  -0.423  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.088   1.212  -0.239  1.00  0.00           C  
HETATM    3  O1  UNL     1      -5.444   0.085   0.237  1.00  0.00           O  
HETATM    4  C3  UNL     1      -4.058   0.224   0.298  1.00  0.00           C  
HETATM    5  O2  UNL     1      -3.441  -0.693  -0.526  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.727  -1.691   0.045  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.586  -1.205   0.880  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.700  -0.469   0.132  1.00  0.00           O  
HETATM    9  C6  UNL     1       0.542  -0.266   0.788  1.00  0.00           C  
HETATM   10  O4  UNL     1       1.470  -1.007   0.049  1.00  0.00           O  
HETATM   11  C7  UNL     1       2.489  -0.431  -0.678  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.764  -0.364  -0.244  1.00  0.00           C  
HETATM   13  C9  UNL     1       4.246  -0.910   1.004  1.00  0.00           C  
HETATM   14  C10 UNL     1       5.444  -0.479   1.530  1.00  0.00           C  
HETATM   15  C11 UNL     1       6.000  -1.040   2.680  1.00  0.00           C  
HETATM   16  C12 UNL     1       5.328  -2.066   3.321  1.00  0.00           C  
HETATM   17  O5  UNL     1       5.855  -2.653   4.480  1.00  0.00           O  
HETATM   18  C13 UNL     1       4.132  -2.511   2.813  1.00  0.00           C  
HETATM   19  C14 UNL     1       3.604  -1.925   1.656  1.00  0.00           C  
HETATM   20  O6  UNL     1       4.703   0.244  -1.001  1.00  0.00           O  
HETATM   21  C15 UNL     1       4.458   0.778  -2.151  1.00  0.00           C  
HETATM   22  C16 UNL     1       5.488   1.381  -2.858  1.00  0.00           C  
HETATM   23  C17 UNL     1       5.220   1.941  -4.072  1.00  0.00           C  
HETATM   24  O7  UNL     1       6.247   2.552  -4.794  1.00  0.00           O  
HETATM   25  C18 UNL     1       3.956   1.903  -4.577  1.00  0.00           C  
HETATM   26  C19 UNL     1       2.895   1.301  -3.888  1.00  0.00           C  
HETATM   27  O8  UNL     1       1.656   1.296  -4.444  1.00  0.00           O  
HETATM   28  C20 UNL     1       3.168   0.735  -2.657  1.00  0.00           C  
HETATM   29  C21 UNL     1       2.180   0.133  -1.926  1.00  0.00           C  
HETATM   30  O9  UNL     1       0.988   0.054  -2.314  1.00  0.00           O  
HETATM   31  C22 UNL     1       0.420  -0.429   2.239  1.00  0.00           C  
HETATM   32  O10 UNL     1       1.547  -0.081   2.927  1.00  0.00           O  
HETATM   33  C23 UNL     1      -0.078  -1.782   2.674  1.00  0.00           C  
HETATM   34  O11 UNL     1       0.837  -2.609   3.249  1.00  0.00           O  
HETATM   35  C24 UNL     1      -0.800  -2.402   1.463  1.00  0.00           C  
HETATM   36  O12 UNL     1      -1.641  -3.423   1.819  1.00  0.00           O  
HETATM   37  C25 UNL     1      -3.574   1.634   0.051  1.00  0.00           C  
HETATM   38  O13 UNL     1      -3.835   2.500   1.105  1.00  0.00           O  
HETATM   39  C26 UNL     1      -4.130   2.198  -1.239  1.00  0.00           C  
HETATM   40  O14 UNL     1      -4.404   3.545  -1.033  1.00  0.00           O  
HETATM   41  C27 UNL     1      -5.438   1.520  -1.600  1.00  0.00           C  
HETATM   42  O15 UNL     1      -6.250   2.261  -2.413  1.00  0.00           O  
HETATM   43  H1  UNL     1      -8.107   1.902  -0.675  1.00  0.00           H  
HETATM   44  H2  UNL     1      -7.660   0.267  -1.295  1.00  0.00           H  
HETATM   45  H3  UNL     1      -8.016   0.431   0.430  1.00  0.00           H  
HETATM   46  H4  UNL     1      -6.000   2.097   0.401  1.00  0.00           H  
HETATM   47  H5  UNL     1      -3.800  -0.032   1.344  1.00  0.00           H  
HETATM   48  H6  UNL     1      -2.294  -2.297  -0.813  1.00  0.00           H  
HETATM   49  H7  UNL     1      -3.339  -2.419   0.622  1.00  0.00           H  
HETATM   50  H8  UNL     1      -1.925  -0.569   1.723  1.00  0.00           H  
HETATM   51  H9  UNL     1       0.774   0.824   0.595  1.00  0.00           H  
HETATM   52  H10 UNL     1       6.018   0.316   1.078  1.00  0.00           H  
HETATM   53  H11 UNL     1       6.941  -0.705   3.099  1.00  0.00           H  
HETATM   54  H12 UNL     1       5.585  -2.238   5.361  1.00  0.00           H  
HETATM   55  H13 UNL     1       3.616  -3.305   3.312  1.00  0.00           H  
HETATM   56  H14 UNL     1       2.673  -2.338   1.306  1.00  0.00           H  
HETATM   57  H15 UNL     1       6.485   1.404  -2.446  1.00  0.00           H  
HETATM   58  H16 UNL     1       6.826   2.053  -5.461  1.00  0.00           H  
HETATM   59  H17 UNL     1       3.697   2.335  -5.546  1.00  0.00           H  
HETATM   60  H18 UNL     1       0.831   0.951  -4.157  1.00  0.00           H  
HETATM   61  H19 UNL     1      -0.352   0.362   2.576  1.00  0.00           H  
HETATM   62  H20 UNL     1       1.382  -0.066   3.918  1.00  0.00           H  
HETATM   63  H21 UNL     1      -0.895  -1.619   3.411  1.00  0.00           H  
HETATM   64  H22 UNL     1       0.646  -3.542   2.957  1.00  0.00           H  
HETATM   65  H23 UNL     1      -0.030  -2.673   0.728  1.00  0.00           H  
HETATM   66  H24 UNL     1      -1.158  -4.289   1.792  1.00  0.00           H  
HETATM   67  H25 UNL     1      -2.474   1.588  -0.057  1.00  0.00           H  
HETATM   68  H26 UNL     1      -3.535   3.399   0.843  1.00  0.00           H  
HETATM   69  H27 UNL     1      -3.426   2.101  -2.060  1.00  0.00           H  
HETATM   70  H28 UNL     1      -5.198   3.823  -1.556  1.00  0.00           H  
HETATM   71  H29 UNL     1      -5.209   0.543  -2.063  1.00  0.00           H  
HETATM   72  H30 UNL     1      -6.927   1.666  -2.812  1.00  0.00           H  
CONECT    1    2   43   44   45
CONECT    2    3   41   46
CONECT    3    4
CONECT    4    5   37   47
CONECT    5    6
CONECT    6    7   48   49
CONECT    7    8   35   50
CONECT    8    9
CONECT    9   10   31   51
CONECT   10   11
CONECT   11   12   12   29
CONECT   12   13   20
CONECT   13   14   14   19
CONECT   14   15   52
CONECT   15   16   16   53
CONECT   16   17   18
CONECT   17   54
CONECT   18   19   19   55
CONECT   19   56
CONECT   20   21
CONECT   21   22   22   28
CONECT   22   23   57
CONECT   23   24   25   25
CONECT   24   58
CONECT   25   26   59
CONECT   26   27   28   28
CONECT   27   60
CONECT   28   29
CONECT   29   30   30
CONECT   31   32   33   61
CONECT   32   62
CONECT   33   34   35   63
CONECT   34   64
CONECT   35   36   65
CONECT   36   66
CONECT   37   38   39   67
CONECT   38   68
CONECT   39   40   41   69
CONECT   40   70
CONECT   41   42   71
CONECT   42   72
END

HMDB0037574
     RDKit          3D
Biorobin
 72 76  0  0  0  0  0  0  0  0999 V2000
    4.9720   -0.0200   -1.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4258    0.3739   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4444    0.5061    0.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024   -0.5748    0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -0.5494   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211   -0.3577    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723    1.0093    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629    1.2410    1.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786    1.4804    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.5037    1.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469    0.3407    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0688    0.1869    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5196    1.2220   -0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2033    2.5378   -0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6942    3.4022   -1.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5022    2.9541   -2.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9838    3.8426   -3.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8396    1.6250   -2.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3456    0.7926   -1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7020   -0.9982    0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3618   -1.9849    0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0677   -3.1907    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7324   -4.2468    1.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.4412    1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7012   -4.1366    2.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9627   -2.9453    2.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482   -2.8582    3.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3251   -1.9051    1.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549   -0.7082    1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6977   -0.4699    2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356    2.7879   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904    3.6516    0.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5258    2.5273   -1.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5862   -2.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    2.0510   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630    3.1393    0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842   -1.9147    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248   -2.6189    1.8166 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7468   -1.9336    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1497   -2.9413   -0.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3974   -0.6722    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329   -0.1009    1.1275 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8537    0.1495   -2.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578    0.5642   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8197   -1.1377   -1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0115    1.3151   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861   -0.4590    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361   -1.1692    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -0.4382   -0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969    1.0757    1.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0376    0.6429   -0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5974    2.9115    0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    4.4441   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3827    3.9485   -4.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4777    1.2283   -3.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6236   -0.2578   -1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8716   -3.2319    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1013   -6.1179    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4284   -4.9721    3.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485   -2.1488    3.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999    3.2703   -0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453    3.1765    1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7965    3.5159   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    1.6564   -2.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    1.5609   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    2.9844    1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366   -2.5322   -0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6981   -2.8521    2.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2302   -2.2582    1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1088   -2.8721   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495   -0.8270   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6933    0.6368    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  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  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 12 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  2  0
  9 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  7  1  0
 29 11  1  0
 19 13  1  0
 28 21  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  6 48  1  0
  6 49  1  0
  7 50  1  0
  9 51  1  0
 14 52  1  0
 15 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 22 57  1  0
 24 58  1  0
 25 59  1  0
 27 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Kaempferol 3-robinobioside	HMDB
Kaempferol-3-O-rutinoside	MeSH, HMDB

Chemical Formula

C₂₇H₃₀O₁₅

Average Molecular Weight

594.5181

Monoisotopic Molecular Weight

594.15847029

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one

CAS Registry Number

17297-56-2

SMILES

CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3

InChI Key

RTATXGUCZHCSNG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Oxane
Pyran
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxygen compound
Alcohol
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037574)
Cytoplasm (HMDB: HMDB0037574)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037574)

Source

Exogenous

Exogenous (HMDB: HMDB0037574)

Food

Food (HMDB: HMDB0037574)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Pulse

Pulses (FooDB: FOOD00867)

Endogenous

Plant

Plant (HMDB: HMDB0037574)
Fabaceae (HMDB: HMDB0037574)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037574)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	224 - 226 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.07 g/L	ALOGPS
logP	0.07	ALOGPS
logP	-0.57	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	245.29 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	138.16 m³·mol⁻¹	ChemAxon
Polarizability	56.89 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]+	221.707	30932474
DeepCCS	[M-H]-	219.382	30932474
DeepCCS	[M-2H]-	252.621	30932474
DeepCCS	[M+Na]+	227.496	30932474
AllCCS	[M+H]+	230.3	32859911
AllCCS	[M+H-H2O]+	229.0	32859911
AllCCS	[M+NH4]+	231.5	32859911
AllCCS	[M+Na]+	231.9	32859911
AllCCS	[M-H]-	225.0	32859911
AllCCS	[M+Na-2H]-	227.0	32859911
AllCCS	[M+HCOO]-	229.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Biorobin	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	5949.0	Standard polar	33892256
Biorobin	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	5100.3	Standard non polar	33892256
Biorobin	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O	5577.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Biorobin,1TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5372.9	Semi standard non polar	33892256
Biorobin,1TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	4851.2	Standard non polar	33892256
Biorobin,1TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5359.0	Semi standard non polar	33892256
Biorobin,1TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	4833.2	Standard non polar	33892256
Biorobin,1TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5370.9	Semi standard non polar	33892256
Biorobin,1TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	4843.9	Standard non polar	33892256
Biorobin,1TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5358.1	Semi standard non polar	33892256
Biorobin,1TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4731.8	Standard non polar	33892256
Biorobin,1TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5335.3	Semi standard non polar	33892256
Biorobin,1TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4720.3	Standard non polar	33892256
Biorobin,1TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5335.2	Semi standard non polar	33892256
Biorobin,1TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4732.3	Standard non polar	33892256
Biorobin,1TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5340.5	Semi standard non polar	33892256
Biorobin,1TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4748.5	Standard non polar	33892256
Biorobin,1TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5328.6	Semi standard non polar	33892256
Biorobin,1TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4742.7	Standard non polar	33892256
Biorobin,1TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5340.9	Semi standard non polar	33892256
Biorobin,1TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4736.4	Standard non polar	33892256
Biorobin,2TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5298.9	Semi standard non polar	33892256
Biorobin,2TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	4824.6	Standard non polar	33892256
Biorobin,2TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5294.9	Semi standard non polar	33892256
Biorobin,2TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4729.6	Standard non polar	33892256
Biorobin,2TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5257.5	Semi standard non polar	33892256
Biorobin,2TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4715.9	Standard non polar	33892256
Biorobin,2TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5273.6	Semi standard non polar	33892256
Biorobin,2TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4728.7	Standard non polar	33892256
Biorobin,2TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5261.7	Semi standard non polar	33892256
Biorobin,2TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4742.2	Standard non polar	33892256
Biorobin,2TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5233.9	Semi standard non polar	33892256
Biorobin,2TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4737.7	Standard non polar	33892256
Biorobin,2TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5273.0	Semi standard non polar	33892256
Biorobin,2TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4737.3	Standard non polar	33892256
Biorobin,2TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5297.5	Semi standard non polar	33892256
Biorobin,2TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4730.9	Standard non polar	33892256
Biorobin,2TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5264.8	Semi standard non polar	33892256
Biorobin,2TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4717.3	Standard non polar	33892256
Biorobin,2TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5277.1	Semi standard non polar	33892256
Biorobin,2TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4730.2	Standard non polar	33892256
Biorobin,2TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5265.4	Semi standard non polar	33892256
Biorobin,2TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4743.9	Standard non polar	33892256
Biorobin,2TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5269.0	Semi standard non polar	33892256
Biorobin,2TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	4816.1	Standard non polar	33892256
Biorobin,2TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5239.5	Semi standard non polar	33892256
Biorobin,2TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4738.6	Standard non polar	33892256
Biorobin,2TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5275.1	Semi standard non polar	33892256
Biorobin,2TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4738.0	Standard non polar	33892256
Biorobin,2TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5301.3	Semi standard non polar	33892256
Biorobin,2TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4610.9	Standard non polar	33892256
Biorobin,2TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5302.6	Semi standard non polar	33892256
Biorobin,2TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4647.3	Standard non polar	33892256
Biorobin,2TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5266.7	Semi standard non polar	33892256
Biorobin,2TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4662.1	Standard non polar	33892256
Biorobin,2TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5249.8	Semi standard non polar	33892256
Biorobin,2TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4663.4	Standard non polar	33892256
Biorobin,2TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5274.1	Semi standard non polar	33892256
Biorobin,2TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4659.9	Standard non polar	33892256
Biorobin,2TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5283.0	Semi standard non polar	33892256
Biorobin,2TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4617.2	Standard non polar	33892256
Biorobin,2TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5238.9	Semi standard non polar	33892256
Biorobin,2TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4650.8	Standard non polar	33892256
Biorobin,2TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5222.9	Semi standard non polar	33892256
Biorobin,2TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4651.8	Standard non polar	33892256
Biorobin,2TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5304.9	Semi standard non polar	33892256
Biorobin,2TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4735.5	Standard non polar	33892256
Biorobin,2TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5250.0	Semi standard non polar	33892256
Biorobin,2TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4647.1	Standard non polar	33892256
Biorobin,2TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5246.8	Semi standard non polar	33892256
Biorobin,2TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4660.2	Standard non polar	33892256
Biorobin,2TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5231.3	Semi standard non polar	33892256
Biorobin,2TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4659.1	Standard non polar	33892256
Biorobin,2TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5252.4	Semi standard non polar	33892256
Biorobin,2TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4657.0	Standard non polar	33892256
Biorobin,2TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5263.7	Semi standard non polar	33892256
Biorobin,2TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4662.3	Standard non polar	33892256
Biorobin,2TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5250.1	Semi standard non polar	33892256
Biorobin,2TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4663.0	Standard non polar	33892256
Biorobin,2TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5266.1	Semi standard non polar	33892256
Biorobin,2TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4640.9	Standard non polar	33892256
Biorobin,2TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5265.4	Semi standard non polar	33892256
Biorobin,2TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4720.3	Standard non polar	33892256
Biorobin,2TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5281.5	Semi standard non polar	33892256
Biorobin,2TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4734.8	Standard non polar	33892256
Biorobin,2TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5268.2	Semi standard non polar	33892256
Biorobin,2TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4748.9	Standard non polar	33892256
Biorobin,2TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5241.9	Semi standard non polar	33892256
Biorobin,2TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4742.3	Standard non polar	33892256
Biorobin,2TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5278.6	Semi standard non polar	33892256
Biorobin,2TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4741.8	Standard non polar	33892256
Biorobin,2TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5286.3	Semi standard non polar	33892256
Biorobin,2TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	4818.5	Standard non polar	33892256
Biorobin,3TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5175.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	4815.0	Standard non polar	33892256
Biorobin,3TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5141.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4740.3	Standard non polar	33892256
Biorobin,3TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5115.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4745.5	Standard non polar	33892256
Biorobin,3TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5060.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4735.1	Standard non polar	33892256
Biorobin,3TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5141.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4734.4	Standard non polar	33892256
Biorobin,3TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5172.0	Semi standard non polar	33892256
Biorobin,3TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4613.0	Standard non polar	33892256
Biorobin,3TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5200.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4667.0	Standard non polar	33892256
Biorobin,3TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5160.8	Semi standard non polar	33892256
Biorobin,3TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4665.3	Standard non polar	33892256
Biorobin,3TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5123.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4660.8	Standard non polar	33892256
Biorobin,3TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5179.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4657.8	Standard non polar	33892256
Biorobin,3TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5154.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4621.6	Standard non polar	33892256
Biorobin,3TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5214.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4741.3	Standard non polar	33892256
Biorobin,3TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5108.2	Semi standard non polar	33892256
Biorobin,3TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4647.8	Standard non polar	33892256
Biorobin,3TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5069.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4643.0	Standard non polar	33892256
Biorobin,3TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5132.8	Semi standard non polar	33892256
Biorobin,3TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4641.6	Standard non polar	33892256
Biorobin,3TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5142.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4662.0	Standard non polar	33892256
Biorobin,3TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5105.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4656.8	Standard non polar	33892256
Biorobin,3TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5163.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4654.4	Standard non polar	33892256
Biorobin,3TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5129.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4650.9	Standard non polar	33892256
Biorobin,3TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5129.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4666.0	Standard non polar	33892256
Biorobin,3TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5123.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4636.1	Standard non polar	33892256
Biorobin,3TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5187.2	Semi standard non polar	33892256
Biorobin,3TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4743.2	Standard non polar	33892256
Biorobin,3TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5155.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4723.3	Standard non polar	33892256
Biorobin,3TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5128.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4724.3	Standard non polar	33892256
Biorobin,3TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5170.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4745.7	Standard non polar	33892256
Biorobin,3TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5144.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4750.7	Standard non polar	33892256
Biorobin,3TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5089.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4741.3	Standard non polar	33892256
Biorobin,3TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5168.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4740.3	Standard non polar	33892256
Biorobin,3TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5148.2	Semi standard non polar	33892256
Biorobin,3TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4607.4	Standard non polar	33892256
Biorobin,3TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5180.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4662.3	Standard non polar	33892256
Biorobin,3TMS,isomer #37	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5134.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #37	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4662.3	Standard non polar	33892256
Biorobin,3TMS,isomer #38	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5093.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #38	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4657.3	Standard non polar	33892256
Biorobin,3TMS,isomer #39	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5156.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #39	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4653.9	Standard non polar	33892256
Biorobin,3TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5197.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4743.1	Standard non polar	33892256
Biorobin,3TMS,isomer #40	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5133.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #40	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4616.9	Standard non polar	33892256
Biorobin,3TMS,isomer #41	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5080.0	Semi standard non polar	33892256
Biorobin,3TMS,isomer #41	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4643.0	Standard non polar	33892256
Biorobin,3TMS,isomer #42	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5039.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #42	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4637.6	Standard non polar	33892256
Biorobin,3TMS,isomer #43	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5107.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #43	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4635.6	Standard non polar	33892256
Biorobin,3TMS,isomer #44	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5115.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #44	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4659.0	Standard non polar	33892256
Biorobin,3TMS,isomer #45	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5074.8	Semi standard non polar	33892256
Biorobin,3TMS,isomer #45	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4653.5	Standard non polar	33892256
Biorobin,3TMS,isomer #46	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5138.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #46	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4650.7	Standard non polar	33892256
Biorobin,3TMS,isomer #47	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5098.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #47	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4646.8	Standard non polar	33892256
Biorobin,3TMS,isomer #48	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5103.0	Semi standard non polar	33892256
Biorobin,3TMS,isomer #48	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4660.5	Standard non polar	33892256
Biorobin,3TMS,isomer #49	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5101.0	Semi standard non polar	33892256
Biorobin,3TMS,isomer #49	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4630.7	Standard non polar	33892256
Biorobin,3TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5173.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4748.6	Standard non polar	33892256
Biorobin,3TMS,isomer #50	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5184.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #50	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4617.4	Standard non polar	33892256
Biorobin,3TMS,isomer #51	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5199.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #51	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4671.0	Standard non polar	33892256
Biorobin,3TMS,isomer #52	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5176.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #52	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4667.1	Standard non polar	33892256
Biorobin,3TMS,isomer #53	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5140.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #53	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4663.6	Standard non polar	33892256
Biorobin,3TMS,isomer #54	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5191.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #54	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4660.5	Standard non polar	33892256
Biorobin,3TMS,isomer #55	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5162.8	Semi standard non polar	33892256
Biorobin,3TMS,isomer #55	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4625.7	Standard non polar	33892256
Biorobin,3TMS,isomer #56	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5121.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #56	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4650.3	Standard non polar	33892256
Biorobin,3TMS,isomer #57	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5077.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #57	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4646.1	Standard non polar	33892256
Biorobin,3TMS,isomer #58	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5141.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #58	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4644.2	Standard non polar	33892256
Biorobin,3TMS,isomer #59	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5162.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #59	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4664.4	Standard non polar	33892256
Biorobin,3TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5123.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4739.5	Standard non polar	33892256
Biorobin,3TMS,isomer #60	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5123.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #60	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4659.9	Standard non polar	33892256
Biorobin,3TMS,isomer #61	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5177.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #61	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4656.9	Standard non polar	33892256
Biorobin,3TMS,isomer #62	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5144.0	Semi standard non polar	33892256
Biorobin,3TMS,isomer #62	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4653.5	Standard non polar	33892256
Biorobin,3TMS,isomer #63	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5137.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #63	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4670.7	Standard non polar	33892256
Biorobin,3TMS,isomer #64	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5132.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #64	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4638.7	Standard non polar	33892256
Biorobin,3TMS,isomer #65	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5233.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #65	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4549.7	Standard non polar	33892256
Biorobin,3TMS,isomer #66	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5140.8	Semi standard non polar	33892256
Biorobin,3TMS,isomer #66	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4547.5	Standard non polar	33892256
Biorobin,3TMS,isomer #67	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5114.2	Semi standard non polar	33892256
Biorobin,3TMS,isomer #67	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4549.1	Standard non polar	33892256
Biorobin,3TMS,isomer #68	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5153.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #68	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4545.7	Standard non polar	33892256
Biorobin,3TMS,isomer #69	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5171.4	Semi standard non polar	33892256
Biorobin,3TMS,isomer #69	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4598.4	Standard non polar	33892256
Biorobin,3TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5191.2	Semi standard non polar	33892256
Biorobin,3TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4738.0	Standard non polar	33892256
Biorobin,3TMS,isomer #70	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5146.2	Semi standard non polar	33892256
Biorobin,3TMS,isomer #70	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4596.4	Standard non polar	33892256
Biorobin,3TMS,isomer #71	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5181.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #71	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4593.9	Standard non polar	33892256
Biorobin,3TMS,isomer #72	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5136.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #72	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4576.2	Standard non polar	33892256
Biorobin,3TMS,isomer #73	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5135.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #73	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4597.5	Standard non polar	33892256
Biorobin,3TMS,isomer #74	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5133.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #74	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4570.8	Standard non polar	33892256
Biorobin,3TMS,isomer #75	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5130.8	Semi standard non polar	33892256
Biorobin,3TMS,isomer #75	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4553.6	Standard non polar	33892256
Biorobin,3TMS,isomer #76	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5103.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #76	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4553.4	Standard non polar	33892256
Biorobin,3TMS,isomer #77	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5141.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #77	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4550.1	Standard non polar	33892256
Biorobin,3TMS,isomer #78	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5092.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #78	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4558.5	Standard non polar	33892256
Biorobin,3TMS,isomer #79	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5094.6	Semi standard non polar	33892256
Biorobin,3TMS,isomer #79	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4578.3	Standard non polar	33892256
Biorobin,3TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5160.7	Semi standard non polar	33892256
Biorobin,3TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4738.8	Standard non polar	33892256
Biorobin,3TMS,isomer #80	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5094.3	Semi standard non polar	33892256
Biorobin,3TMS,isomer #80	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4554.8	Standard non polar	33892256
Biorobin,3TMS,isomer #81	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5124.5	Semi standard non polar	33892256
Biorobin,3TMS,isomer #81	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4570.6	Standard non polar	33892256
Biorobin,3TMS,isomer #82	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5120.8	Semi standard non polar	33892256
Biorobin,3TMS,isomer #82	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4591.0	Standard non polar	33892256
Biorobin,3TMS,isomer #83	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5118.9	Semi standard non polar	33892256
Biorobin,3TMS,isomer #83	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4564.9	Standard non polar	33892256
Biorobin,3TMS,isomer #84	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5130.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #84	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4575.3	Standard non polar	33892256
Biorobin,3TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5108.1	Semi standard non polar	33892256
Biorobin,3TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4717.4	Standard non polar	33892256
Biorobin,4TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5070.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4730.1	Standard non polar	33892256
Biorobin,4TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5018.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4637.4	Standard non polar	33892256
Biorobin,4TMS,isomer #100	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5056.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #100	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4582.6	Standard non polar	33892256
Biorobin,4TMS,isomer #101	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5047.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #101	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4547.1	Standard non polar	33892256
Biorobin,4TMS,isomer #102	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5036.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #102	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4537.0	Standard non polar	33892256
Biorobin,4TMS,isomer #103	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4990.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #103	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4525.8	Standard non polar	33892256
Biorobin,4TMS,isomer #104	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5051.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #104	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4525.9	Standard non polar	33892256
Biorobin,4TMS,isomer #105	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4977.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #105	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4524.1	Standard non polar	33892256
Biorobin,4TMS,isomer #106	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4990.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #106	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4548.9	Standard non polar	33892256
Biorobin,4TMS,isomer #107	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4982.5	Semi standard non polar	33892256
Biorobin,4TMS,isomer #107	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4518.1	Standard non polar	33892256
Biorobin,4TMS,isomer #108	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5014.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #108	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4553.4	Standard non polar	33892256
Biorobin,4TMS,isomer #109	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5028.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #109	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4578.4	Standard non polar	33892256
Biorobin,4TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5092.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4640.2	Standard non polar	33892256
Biorobin,4TMS,isomer #110	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5018.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #110	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4543.5	Standard non polar	33892256
Biorobin,4TMS,isomer #111	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5036.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #111	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4556.1	Standard non polar	33892256
Biorobin,4TMS,isomer #112	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5101.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #112	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4468.6	Standard non polar	33892256
Biorobin,4TMS,isomer #113	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5067.5	Semi standard non polar	33892256
Biorobin,4TMS,isomer #113	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4461.5	Standard non polar	33892256
Biorobin,4TMS,isomer #114	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5113.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #114	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4462.0	Standard non polar	33892256
Biorobin,4TMS,isomer #115	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5037.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #115	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4439.5	Standard non polar	33892256
Biorobin,4TMS,isomer #116	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5051.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #116	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4470.5	Standard non polar	33892256
Biorobin,4TMS,isomer #117	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5048.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #117	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4442.9	Standard non polar	33892256
Biorobin,4TMS,isomer #118	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5058.4	Semi standard non polar	33892256
Biorobin,4TMS,isomer #118	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4501.1	Standard non polar	33892256
Biorobin,4TMS,isomer #119	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5068.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #119	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4528.1	Standard non polar	33892256
Biorobin,4TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5060.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4610.2	Standard non polar	33892256
Biorobin,4TMS,isomer #120	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5069.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #120	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4498.4	Standard non polar	33892256
Biorobin,4TMS,isomer #121	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5067.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #121	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4487.4	Standard non polar	33892256
Biorobin,4TMS,isomer #122	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5024.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #122	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4440.6	Standard non polar	33892256
Biorobin,4TMS,isomer #123	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5033.4	Semi standard non polar	33892256
Biorobin,4TMS,isomer #123	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4470.5	Standard non polar	33892256
Biorobin,4TMS,isomer #124	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5031.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #124	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4442.4	Standard non polar	33892256
Biorobin,4TMS,isomer #125	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5011.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #125	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4457.3	Standard non polar	33892256
Biorobin,4TMS,isomer #126	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5045.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #126	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4480.5	Standard non polar	33892256
Biorobin,4TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5001.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4623.9	Standard non polar	33892256
Biorobin,4TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4938.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4609.3	Standard non polar	33892256
Biorobin,4TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5025.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4610.5	Standard non polar	33892256
Biorobin,4TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5042.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4651.6	Standard non polar	33892256
Biorobin,4TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4982.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4636.8	Standard non polar	33892256
Biorobin,4TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5063.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4638.6	Standard non polar	33892256
Biorobin,4TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5016.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4628.1	Standard non polar	33892256
Biorobin,4TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4992.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4702.9	Standard non polar	33892256
Biorobin,4TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5027.4	Semi standard non polar	33892256
Biorobin,4TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4649.5	Standard non polar	33892256
Biorobin,4TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5018.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4613.0	Standard non polar	33892256
Biorobin,4TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5033.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4594.1	Standard non polar	33892256
Biorobin,4TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5045.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4658.6	Standard non polar	33892256
Biorobin,4TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5006.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4647.6	Standard non polar	33892256
Biorobin,4TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4947.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4635.2	Standard non polar	33892256
Biorobin,4TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5038.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4632.9	Standard non polar	33892256
Biorobin,4TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5010.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4603.2	Standard non polar	33892256
Biorobin,4TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4935.4	Semi standard non polar	33892256
Biorobin,4TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4618.9	Standard non polar	33892256
Biorobin,4TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4869.4	Semi standard non polar	33892256
Biorobin,4TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4605.9	Standard non polar	33892256
Biorobin,4TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5032.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4729.8	Standard non polar	33892256
Biorobin,4TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4970.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4604.9	Standard non polar	33892256
Biorobin,4TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4968.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4646.3	Standard non polar	33892256
Biorobin,4TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4909.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4632.8	Standard non polar	33892256
Biorobin,4TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5003.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4631.3	Standard non polar	33892256
Biorobin,4TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4949.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4621.6	Standard non polar	33892256
Biorobin,4TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4953.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4641.3	Standard non polar	33892256
Biorobin,4TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4947.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4606.3	Standard non polar	33892256
Biorobin,4TMS,isomer #37	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5110.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #37	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4539.8	Standard non polar	33892256
Biorobin,4TMS,isomer #38	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5045.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #38	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4527.1	Standard non polar	33892256
Biorobin,4TMS,isomer #39	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4998.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #39	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4517.9	Standard non polar	33892256
Biorobin,4TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4999.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4732.6	Standard non polar	33892256
Biorobin,4TMS,isomer #40	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5066.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #40	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4517.5	Standard non polar	33892256
Biorobin,4TMS,isomer #41	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5062.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #41	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4590.2	Standard non polar	33892256
Biorobin,4TMS,isomer #42	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5019.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #42	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4578.3	Standard non polar	33892256
Biorobin,4TMS,isomer #43	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5086.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #43	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4578.6	Standard non polar	33892256
Biorobin,4TMS,isomer #44	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5030.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #44	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4554.4	Standard non polar	33892256
Biorobin,4TMS,isomer #45	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5041.5	Semi standard non polar	33892256
Biorobin,4TMS,isomer #45	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4577.8	Standard non polar	33892256
Biorobin,4TMS,isomer #46	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5036.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #46	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4543.6	Standard non polar	33892256
Biorobin,4TMS,isomer #47	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5028.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #47	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4533.1	Standard non polar	33892256
Biorobin,4TMS,isomer #48	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4978.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #48	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4522.4	Standard non polar	33892256
Biorobin,4TMS,isomer #49	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5048.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #49	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4521.7	Standard non polar	33892256
Biorobin,4TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4929.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4716.3	Standard non polar	33892256
Biorobin,4TMS,isomer #50	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4970.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #50	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4522.6	Standard non polar	33892256
Biorobin,4TMS,isomer #51	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4977.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #51	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4545.7	Standard non polar	33892256
Biorobin,4TMS,isomer #52	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4971.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #52	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4515.6	Standard non polar	33892256
Biorobin,4TMS,isomer #53	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5002.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #53	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4550.5	Standard non polar	33892256
Biorobin,4TMS,isomer #54	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5011.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #54	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4573.6	Standard non polar	33892256
Biorobin,4TMS,isomer #55	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5005.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #55	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4539.8	Standard non polar	33892256
Biorobin,4TMS,isomer #56	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5023.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #56	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4552.1	Standard non polar	33892256
Biorobin,4TMS,isomer #57	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5055.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #57	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4599.9	Standard non polar	33892256
Biorobin,4TMS,isomer #58	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5067.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #58	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4667.5	Standard non polar	33892256
Biorobin,4TMS,isomer #59	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5044.5	Semi standard non polar	33892256
Biorobin,4TMS,isomer #59	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4652.6	Standard non polar	33892256
Biorobin,4TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5032.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4717.1	Standard non polar	33892256
Biorobin,4TMS,isomer #60	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4984.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #60	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4639.1	Standard non polar	33892256
Biorobin,4TMS,isomer #61	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5065.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #61	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4638.9	Standard non polar	33892256
Biorobin,4TMS,isomer #62	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5033.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #62	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4609.8	Standard non polar	33892256
Biorobin,4TMS,isomer #63	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4967.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #63	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4623.1	Standard non polar	33892256
Biorobin,4TMS,isomer #64	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4908.4	Semi standard non polar	33892256
Biorobin,4TMS,isomer #64	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4609.7	Standard non polar	33892256
Biorobin,4TMS,isomer #65	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4997.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #65	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4609.1	Standard non polar	33892256
Biorobin,4TMS,isomer #66	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5008.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #66	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4652.6	Standard non polar	33892256
Biorobin,4TMS,isomer #67	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4949.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #67	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4638.1	Standard non polar	33892256
Biorobin,4TMS,isomer #68	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5033.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #68	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4637.4	Standard non polar	33892256
Biorobin,4TMS,isomer #69	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4982.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #69	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4628.0	Standard non polar	33892256
Biorobin,4TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5079.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4600.5	Standard non polar	33892256
Biorobin,4TMS,isomer #70	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4990.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #70	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4647.4	Standard non polar	33892256
Biorobin,4TMS,isomer #71	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4984.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #71	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4611.4	Standard non polar	33892256
Biorobin,4TMS,isomer #72	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5088.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #72	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4534.7	Standard non polar	33892256
Biorobin,4TMS,isomer #73	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5016.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #73	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4523.2	Standard non polar	33892256
Biorobin,4TMS,isomer #74	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4964.5	Semi standard non polar	33892256
Biorobin,4TMS,isomer #74	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4514.4	Standard non polar	33892256
Biorobin,4TMS,isomer #75	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5038.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #75	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4513.2	Standard non polar	33892256
Biorobin,4TMS,isomer #76	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5037.3	Semi standard non polar	33892256
Biorobin,4TMS,isomer #76	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4585.8	Standard non polar	33892256
Biorobin,4TMS,isomer #77	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4991.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #77	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4574.6	Standard non polar	33892256
Biorobin,4TMS,isomer #78	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5062.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #78	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4573.8	Standard non polar	33892256
Biorobin,4TMS,isomer #79	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4999.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #79	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4550.8	Standard non polar	33892256
Biorobin,4TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5089.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4667.9	Standard non polar	33892256
Biorobin,4TMS,isomer #80	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5008.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #80	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4573.5	Standard non polar	33892256
Biorobin,4TMS,isomer #81	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5004.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #81	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4540.2	Standard non polar	33892256
Biorobin,4TMS,isomer #82	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4999.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #82	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4529.6	Standard non polar	33892256
Biorobin,4TMS,isomer #83	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4946.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #83	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4519.2	Standard non polar	33892256
Biorobin,4TMS,isomer #84	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5020.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #84	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4517.8	Standard non polar	33892256
Biorobin,4TMS,isomer #85	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4933.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #85	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4519.8	Standard non polar	33892256
Biorobin,4TMS,isomer #86	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4940.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #86	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4542.4	Standard non polar	33892256
Biorobin,4TMS,isomer #87	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4932.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #87	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4512.2	Standard non polar	33892256
Biorobin,4TMS,isomer #88	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4969.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #88	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4546.4	Standard non polar	33892256
Biorobin,4TMS,isomer #89	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4976.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #89	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4568.4	Standard non polar	33892256
Biorobin,4TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5076.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4651.2	Standard non polar	33892256
Biorobin,4TMS,isomer #90	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4972.0	Semi standard non polar	33892256
Biorobin,4TMS,isomer #90	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4535.6	Standard non polar	33892256
Biorobin,4TMS,isomer #91	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4990.9	Semi standard non polar	33892256
Biorobin,4TMS,isomer #91	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4546.7	Standard non polar	33892256
Biorobin,4TMS,isomer #92	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5110.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #92	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4545.4	Standard non polar	33892256
Biorobin,4TMS,isomer #93	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5054.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #93	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4530.5	Standard non polar	33892256
Biorobin,4TMS,isomer #94	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5008.1	Semi standard non polar	33892256
Biorobin,4TMS,isomer #94	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4521.3	Standard non polar	33892256
Biorobin,4TMS,isomer #95	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5068.5	Semi standard non polar	33892256
Biorobin,4TMS,isomer #95	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4521.2	Standard non polar	33892256
Biorobin,4TMS,isomer #96	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5069.2	Semi standard non polar	33892256
Biorobin,4TMS,isomer #96	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4597.2	Standard non polar	33892256
Biorobin,4TMS,isomer #97	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5025.8	Semi standard non polar	33892256
Biorobin,4TMS,isomer #97	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4584.7	Standard non polar	33892256
Biorobin,4TMS,isomer #98	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5082.6	Semi standard non polar	33892256
Biorobin,4TMS,isomer #98	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4585.9	Standard non polar	33892256
Biorobin,4TMS,isomer #99	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5041.7	Semi standard non polar	33892256
Biorobin,4TMS,isomer #99	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4556.5	Standard non polar	33892256
Biorobin,1TBDMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5564.3	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5069.1	Standard non polar	33892256
Biorobin,1TBDMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5542.6	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5066.6	Standard non polar	33892256
Biorobin,1TBDMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5560.5	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5068.4	Standard non polar	33892256
Biorobin,1TBDMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5594.6	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	4956.9	Standard non polar	33892256
Biorobin,1TBDMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5577.5	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4940.5	Standard non polar	33892256
Biorobin,1TBDMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5572.2	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4957.7	Standard non polar	33892256
Biorobin,1TBDMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5578.2	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4975.0	Standard non polar	33892256
Biorobin,1TBDMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5571.9	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4965.1	Standard non polar	33892256
Biorobin,1TBDMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5586.6	Semi standard non polar	33892256
Biorobin,1TBDMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4962.1	Standard non polar	33892256
Biorobin,2TBDMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5684.4	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5234.6	Standard non polar	33892256
Biorobin,2TBDMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5654.4	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5142.1	Standard non polar	33892256
Biorobin,2TBDMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5639.2	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5120.6	Standard non polar	33892256
Biorobin,2TBDMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5634.1	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5137.9	Standard non polar	33892256
Biorobin,2TBDMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5610.7	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5145.5	Standard non polar	33892256
Biorobin,2TBDMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5601.6	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5137.5	Standard non polar	33892256
Biorobin,2TBDMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5645.5	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5139.4	Standard non polar	33892256
Biorobin,2TBDMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5682.2	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5138.5	Standard non polar	33892256
Biorobin,2TBDMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5663.6	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5119.1	Standard non polar	33892256
Biorobin,2TBDMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5660.0	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5135.3	Standard non polar	33892256
Biorobin,2TBDMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5633.6	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5143.6	Standard non polar	33892256
Biorobin,2TBDMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5639.1	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5222.2	Standard non polar	33892256
Biorobin,2TBDMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5623.4	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5135.0	Standard non polar	33892256
Biorobin,2TBDMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5669.8	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5138.7	Standard non polar	33892256
Biorobin,2TBDMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5679.8	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5001.6	Standard non polar	33892256
Biorobin,2TBDMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5691.6	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5048.2	Standard non polar	33892256
Biorobin,2TBDMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5638.8	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5056.4	Standard non polar	33892256
Biorobin,2TBDMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5625.4	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5053.4	Standard non polar	33892256
Biorobin,2TBDMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5667.1	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5051.6	Standard non polar	33892256
Biorobin,2TBDMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5665.6	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5006.8	Standard non polar	33892256
Biorobin,2TBDMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5618.5	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5035.0	Standard non polar	33892256
Biorobin,2TBDMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5610.4	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5032.2	Standard non polar	33892256
Biorobin,2TBDMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5679.1	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5140.7	Standard non polar	33892256
Biorobin,2TBDMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5655.0	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5029.7	Standard non polar	33892256
Biorobin,2TBDMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5612.3	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5049.1	Standard non polar	33892256
Biorobin,2TBDMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5604.3	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5044.7	Standard non polar	33892256
Biorobin,2TBDMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5644.5	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5043.8	Standard non polar	33892256
Biorobin,2TBDMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5625.5	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5047.2	Standard non polar	33892256
Biorobin,2TBDMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5634.2	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5050.4	Standard non polar	33892256
Biorobin,2TBDMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5646.6	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5025.2	Standard non polar	33892256
Biorobin,2TBDMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5659.0	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5120.1	Standard non polar	33892256
Biorobin,2TBDMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5657.3	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5137.0	Standard non polar	33892256
Biorobin,2TBDMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5632.5	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5145.0	Standard non polar	33892256
Biorobin,2TBDMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5621.5	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5135.4	Standard non polar	33892256
Biorobin,2TBDMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5670.2	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5138.4	Standard non polar	33892256
Biorobin,2TBDMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5662.2	Semi standard non polar	33892256
Biorobin,2TBDMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5236.7	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Biorobin GC-MS (Non-derivatized) - 70eV, Positive	splash10-056r-7581190000-1db708a48c07e5637984	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Biorobin GC-MS (1 TMS) - 70eV, Positive	splash10-000t-9625108000-1e3b732a8f92be43f074	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Positive-QTOF	splash10-002r-0190170000-b90efd1b6ecce3f8a53d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Positive-QTOF	splash10-000i-0190100000-10b192f39eaf18eda6d8	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Positive-QTOF	splash10-000i-1590000000-40e8403c5aa772e19452	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Positive-QTOF	splash10-002r-0190170000-b90efd1b6ecce3f8a53d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Positive-QTOF	splash10-000i-0190100000-10b192f39eaf18eda6d8	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Positive-QTOF	splash10-000i-1590000000-40e8403c5aa772e19452	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Positive-QTOF	splash10-002r-0190170000-b90efd1b6ecce3f8a53d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Positive-QTOF	splash10-000i-0190100000-10b192f39eaf18eda6d8	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Positive-QTOF	splash10-000i-1590000000-40e8403c5aa772e19452	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Positive-QTOF	splash10-002r-0190170000-b90efd1b6ecce3f8a53d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Positive-QTOF	splash10-000i-0190100000-10b192f39eaf18eda6d8	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Positive-QTOF	splash10-000i-1590000000-40e8403c5aa772e19452	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Positive-QTOF	splash10-002r-0190170000-b90efd1b6ecce3f8a53d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Positive-QTOF	splash10-000i-0190100000-10b192f39eaf18eda6d8	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Positive-QTOF	splash10-000i-1590000000-40e8403c5aa772e19452	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Negative-QTOF	splash10-000f-3480390000-8523e2f778c6f46a1c90	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Negative-QTOF	splash10-000i-2490010000-f22c1567c9d1647abb82	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Negative-QTOF	splash10-000i-2490000000-4514129aceb63ecf768b	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Negative-QTOF	splash10-000f-3480390000-8523e2f778c6f46a1c90	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Negative-QTOF	splash10-000i-2490010000-f22c1567c9d1647abb82	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Negative-QTOF	splash10-000i-2490000000-4514129aceb63ecf768b	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Negative-QTOF	splash10-000f-3480390000-8523e2f778c6f46a1c90	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 20V, Negative-QTOF	splash10-000i-2490010000-f22c1567c9d1647abb82	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 40V, Negative-QTOF	splash10-000i-2490000000-4514129aceb63ecf768b	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Biorobin 10V, Negative-QTOF	splash10-000f-3480390000-8523e2f778c6f46a1c90	2015-04-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	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

FDB016666

KNApSAcK ID

C00005160

Chemspider ID

11208697

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12313332

PDB ID

Not Available

ChEBI ID

139410

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 Biorobin (HMDB0037574)

MOL for HMDB0037574 (Biorobin)

3D MOL for HMDB0037574 (Biorobin)

3D SDF for HMDB0037574 (Biorobin)

3D-SDF for HMDB0037574 (Biorobin)

PDB for HMDB0037574 (Biorobin)

3D PDB for HMDB0037574 (Biorobin)

SMILES for HMDB0037574 (Biorobin)

INCHI for HMDB0037574 (Biorobin)

Structure for HMDB0037574 (Biorobin)

3D Structure for HMDB0037574 (Biorobin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra