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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 07:25:59 UTC

Update Date

2021-09-26 23:01:53 UTC

HMDB ID

HMDB0250428

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Comuside

Description

Comuside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review very few articles have been published on Comuside. This compound has been identified in human blood as reported by (PMID: 31557052 ). Comuside is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Comuside is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112109262D          

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 29 38  1  0  0  0  0
M  END

HMDB0250428
     RDKit          3D
Comuside
 68 70  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv1652309112109262D          

 38 40  0  0  0  0            999 V2000
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  9 25  1  0  0  0  0
 25 26  2  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 36  1  0  0  0  0
 30 37  1  0  0  0  0
 29 38  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250428

> <DATABASE_NAME>
hmdb

> <SMILES>
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3

> <INCHI_KEY>
SMTKSCGLXONVGL-UHFFFAOYSA-N

> <FORMULA>
C24H30O14

> <MOLECULAR_WEIGHT>
542.49

> <EXACT_MASS>
542.163555646

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
52.676448680352685

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylate

> <ALOGPS_LOGP>
0.30

> <JCHEM_LOGP>
-0.06316791533333278

> <ALOGPS_LOGS>
-2.75

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.236086837807887

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.109809303890021

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810847615592513

> <JCHEM_POLAR_SURFACE_AREA>
221.89999999999995

> <JCHEM_REFRACTIVITY>
125.47399999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-5,6-dihydro-4H-pyran-3-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0250428
     RDKit          3D
Comuside
 68 70  0  0  0  0  0  0  0  0999 V2000
   -0.4061   -1.9058    2.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575   -1.7541    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495   -0.4997    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915   -0.7078   -0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7577   -0.3593   -0.6068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7131   -1.3401   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1698   -1.6154    0.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0417   -0.6089    0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1822   -0.4992    2.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0757    0.5376    2.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4099   -0.9688    0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1263    0.2144    0.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1596   -1.6029   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1966   -1.2129   -1.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8836   -0.9922   -1.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1190    0.3599   -1.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158    0.0543   -2.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849    1.2831   -1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    1.3589   -1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    2.5537   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    2.5783   -0.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    3.6988   -1.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    4.8734   -1.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8334    0.0576   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4604   -0.9308   -1.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509   -0.4124   -1.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200   -0.1039   -1.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2743   -1.0022   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124   -2.1848   -0.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2944   -0.5335    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951    0.7889    0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6432    1.2647    1.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0279    2.5969    1.6729 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2170    0.3885    2.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1951    0.8169    3.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300   -0.9396    2.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4313   -1.8025    3.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8767   -1.3867    1.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1688   -2.8487    2.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386   -1.1063    2.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686   -2.5899    0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7754    0.2403    0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3973   -1.7840   -1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -2.3172   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7065    0.3940    0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5301   -1.4531    2.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1892   -0.1770    2.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8226    1.3191    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9421   -1.6549    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8863    0.0802   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0894   -2.7075   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0147   -1.4172   -2.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7597   -1.4866   -2.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5225    0.5103   -2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742    2.1603   -2.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2271    5.1147   -2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014    5.7009   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619    4.7704   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189    0.2211    0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159   -1.2526   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7203   -1.8386   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1393   -1.0805   -2.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    0.5485   -2.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    1.4638    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5943    3.2286    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    1.7867    3.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1291   -1.4611    4.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5757   -2.4260    1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 19 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 24  3  1  0
 38 30  1  0
 15  6  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  4 43  1  0
  6 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 18 55  1  0
 23 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 25 60  1  0
 25 61  1  0
 26 62  1  0
 26 63  1  0
 31 64  1  0
 33 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -4.001 -11.550   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -8.002  -9.240   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0     -10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0     -12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0     -16.004  -7.700   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0     -14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0     -12.003 -11.550   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -9.336 -10.010   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   27                                                  
CONECT    9    8   10   25                                                  
CONECT   10    9    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   24                                                  
CONECT   19   18   20   23                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20   16                                                       
CONECT   22   20                                                            
CONECT   23   19                                                            
CONECT   24   18                                                            
CONECT   25    9   26                                                       
CONECT   26   25                                                            
CONECT   27    8   28                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30   38                                                  
CONECT   30   29   31   37                                                  
CONECT   31   30   32   36                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32   28                                                       
CONECT   34   32   35                                                       
CONECT   35   34                                                            
CONECT   36   31                                                            
CONECT   37   30                                                            
CONECT   38   29                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

COMPND    HMDB0250428
HETATM    1  C1  UNL     1      -0.406  -1.906   2.147  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.157  -1.754   0.847  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.450  -0.500   0.119  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.491  -0.708  -0.951  1.00  0.00           C  
HETATM    5  O1  UNL     1      -2.758  -0.359  -0.607  1.00  0.00           O  
HETATM    6  C5  UNL     1      -3.713  -1.340  -0.714  1.00  0.00           C  
HETATM    7  O2  UNL     1      -4.170  -1.615   0.577  1.00  0.00           O  
HETATM    8  C6  UNL     1      -5.042  -0.609   0.941  1.00  0.00           C  
HETATM    9  C7  UNL     1      -5.182  -0.499   2.450  1.00  0.00           C  
HETATM   10  O3  UNL     1      -6.076   0.538   2.706  1.00  0.00           O  
HETATM   11  C8  UNL     1      -6.410  -0.969   0.360  1.00  0.00           C  
HETATM   12  O4  UNL     1      -7.126   0.214   0.271  1.00  0.00           O  
HETATM   13  C9  UNL     1      -6.160  -1.603  -0.991  1.00  0.00           C  
HETATM   14  O5  UNL     1      -7.197  -1.213  -1.835  1.00  0.00           O  
HETATM   15  C10 UNL     1      -4.884  -0.992  -1.563  1.00  0.00           C  
HETATM   16  O6  UNL     1      -5.119   0.360  -1.705  1.00  0.00           O  
HETATM   17  O7  UNL     1      -1.116   0.054  -2.084  1.00  0.00           O  
HETATM   18  C11 UNL     1      -0.485   1.283  -1.994  1.00  0.00           C  
HETATM   19  C12 UNL     1       0.546   1.359  -1.158  1.00  0.00           C  
HETATM   20  C13 UNL     1       1.311   2.554  -0.943  1.00  0.00           C  
HETATM   21  O8  UNL     1       2.266   2.578  -0.151  1.00  0.00           O  
HETATM   22  O9  UNL     1       0.977   3.699  -1.631  1.00  0.00           O  
HETATM   23  C14 UNL     1       1.734   4.873  -1.415  1.00  0.00           C  
HETATM   24  C15 UNL     1       0.833   0.058  -0.447  1.00  0.00           C  
HETATM   25  C16 UNL     1       1.460  -0.931  -1.370  1.00  0.00           C  
HETATM   26  C17 UNL     1       2.751  -0.412  -1.977  1.00  0.00           C  
HETATM   27  O10 UNL     1       3.720  -0.104  -1.030  1.00  0.00           O  
HETATM   28  C18 UNL     1       4.274  -1.002  -0.140  1.00  0.00           C  
HETATM   29  O11 UNL     1       3.912  -2.185  -0.149  1.00  0.00           O  
HETATM   30  C19 UNL     1       5.294  -0.533   0.810  1.00  0.00           C  
HETATM   31  C20 UNL     1       5.695   0.789   0.818  1.00  0.00           C  
HETATM   32  C21 UNL     1       6.643   1.265   1.686  1.00  0.00           C  
HETATM   33  O12 UNL     1       7.028   2.597   1.673  1.00  0.00           O  
HETATM   34  C22 UNL     1       7.217   0.388   2.586  1.00  0.00           C  
HETATM   35  O13 UNL     1       8.195   0.817   3.502  1.00  0.00           O  
HETATM   36  C23 UNL     1       6.830  -0.940   2.596  1.00  0.00           C  
HETATM   37  O14 UNL     1       7.431  -1.802   3.521  1.00  0.00           O  
HETATM   38  C24 UNL     1       5.877  -1.387   1.712  1.00  0.00           C  
HETATM   39  H1  UNL     1      -0.169  -2.849   2.619  1.00  0.00           H  
HETATM   40  H2  UNL     1      -0.839  -1.106   2.733  1.00  0.00           H  
HETATM   41  H3  UNL     1       0.269  -2.590   0.299  1.00  0.00           H  
HETATM   42  H4  UNL     1      -0.775   0.240   0.882  1.00  0.00           H  
HETATM   43  H5  UNL     1      -1.397  -1.784  -1.285  1.00  0.00           H  
HETATM   44  H6  UNL     1      -3.284  -2.317  -1.083  1.00  0.00           H  
HETATM   45  H7  UNL     1      -4.707   0.394   0.594  1.00  0.00           H  
HETATM   46  H8  UNL     1      -5.530  -1.453   2.876  1.00  0.00           H  
HETATM   47  H9  UNL     1      -4.189  -0.177   2.855  1.00  0.00           H  
HETATM   48  H10 UNL     1      -5.823   1.319   2.147  1.00  0.00           H  
HETATM   49  H11 UNL     1      -6.942  -1.655   1.050  1.00  0.00           H  
HETATM   50  H12 UNL     1      -7.886   0.080  -0.356  1.00  0.00           H  
HETATM   51  H13 UNL     1      -6.089  -2.707  -0.938  1.00  0.00           H  
HETATM   52  H14 UNL     1      -7.015  -1.417  -2.782  1.00  0.00           H  
HETATM   53  H15 UNL     1      -4.760  -1.487  -2.571  1.00  0.00           H  
HETATM   54  H16 UNL     1      -5.522   0.510  -2.587  1.00  0.00           H  
HETATM   55  H17 UNL     1      -0.774   2.160  -2.548  1.00  0.00           H  
HETATM   56  H18 UNL     1       2.227   5.115  -2.383  1.00  0.00           H  
HETATM   57  H19 UNL     1       1.001   5.701  -1.231  1.00  0.00           H  
HETATM   58  H20 UNL     1       2.462   4.770  -0.592  1.00  0.00           H  
HETATM   59  H21 UNL     1       1.519   0.221   0.402  1.00  0.00           H  
HETATM   60  H22 UNL     1       0.816  -1.253  -2.204  1.00  0.00           H  
HETATM   61  H23 UNL     1       1.720  -1.839  -0.798  1.00  0.00           H  
HETATM   62  H24 UNL     1       3.139  -1.080  -2.744  1.00  0.00           H  
HETATM   63  H25 UNL     1       2.486   0.549  -2.504  1.00  0.00           H  
HETATM   64  H26 UNL     1       5.225   1.464   0.094  1.00  0.00           H  
HETATM   65  H27 UNL     1       6.594   3.229   1.003  1.00  0.00           H  
HETATM   66  H28 UNL     1       8.483   1.787   3.501  1.00  0.00           H  
HETATM   67  H29 UNL     1       8.129  -1.461   4.164  1.00  0.00           H  
HETATM   68  H30 UNL     1       5.576  -2.426   1.721  1.00  0.00           H  
CONECT    1    2    2   39   40
CONECT    2    3   41
CONECT    3    4   24   42
CONECT    4    5   17   43
CONECT    5    6
CONECT    6    7   15   44
CONECT    7    8
CONECT    8    9   11   45
CONECT    9   10   46   47
CONECT   10   48
CONECT   11   12   13   49
CONECT   12   50
CONECT   13   14   15   51
CONECT   14   52
CONECT   15   16   53
CONECT   16   54
CONECT   17   18
CONECT   18   19   19   55
CONECT   19   20   24
CONECT   20   21   21   22
CONECT   22   23
CONECT   23   56   57   58
CONECT   24   25   59
CONECT   25   26   60   61
CONECT   26   27   62   63
CONECT   27   28
CONECT   28   29   29   30
CONECT   30   31   31   38
CONECT   31   32   64
CONECT   32   33   34   34
CONECT   33   65
CONECT   34   35   36
CONECT   35   66
CONECT   36   37   38   38
CONECT   37   67
CONECT   38   68
END

HMDB0250428
     RDKit          3D
Comuside
 68 70  0  0  0  0  0  0  0  0999 V2000
   -0.4061   -1.9058    2.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575   -1.7541    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495   -0.4997    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915   -0.7078   -0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7577   -0.3593   -0.6068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7131   -1.3401   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1698   -1.6154    0.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0417   -0.6089    0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1822   -0.4992    2.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0757    0.5376    2.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4099   -0.9688    0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1263    0.2144    0.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1596   -1.6029   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1966   -1.2129   -1.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8836   -0.9922   -1.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1190    0.3599   -1.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158    0.0543   -2.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849    1.2831   -1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    1.3589   -1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    2.5537   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    2.5783   -0.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    3.6988   -1.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    4.8734   -1.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8334    0.0576   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4604   -0.9308   -1.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509   -0.4124   -1.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200   -0.1039   -1.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2743   -1.0022   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124   -2.1848   -0.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2944   -0.5335    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951    0.7889    0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6432    1.2647    1.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0279    2.5969    1.6729 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2170    0.3885    2.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1951    0.8169    3.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300   -0.9396    2.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4313   -1.8025    3.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8767   -1.3867    1.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1688   -2.8487    2.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386   -1.1063    2.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686   -2.5899    0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7754    0.2403    0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3973   -1.7840   -1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -2.3172   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7065    0.3940    0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5301   -1.4531    2.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1892   -0.1770    2.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8226    1.3191    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9421   -1.6549    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8863    0.0802   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0894   -2.7075   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0147   -1.4172   -2.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7597   -1.4866   -2.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5225    0.5103   -2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742    2.1603   -2.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2271    5.1147   -2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014    5.7009   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619    4.7704   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189    0.2211    0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159   -1.2526   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7203   -1.8386   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1393   -1.0805   -2.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    0.5485   -2.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    1.4638    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5943    3.2286    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    1.7867    3.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1291   -1.4611    4.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5757   -2.4260    1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 19 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 24  3  1  0
 38 30  1  0
 15  6  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  4 43  1  0
  6 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 18 55  1  0
 23 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 25 60  1  0
 25 61  1  0
 26 62  1  0
 26 63  1  0
 31 64  1  0
 33 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylic acid	HMDB

Chemical Formula

C₂₄H₃₀O₁₄

Average Molecular Weight

542.49

Monoisotopic Molecular Weight

542.163555646

IUPAC Name

methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylate

Traditional Name

methyl 5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-5,6-dihydro-4H-pyran-3-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3

InChI Key

SMTKSCGLXONVGL-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Galloyl ester
Gallic acid or derivatives
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
O-glycosyl compound
Secoiridoid-skeleton
Glycosyl compound
Monoterpenoid
Aromatic monoterpenoid
Monocyclic monoterpenoid
Benzoate ester
Pyrogallol derivative
Benzenetriol
Benzoic acid or derivatives
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Sugar acid
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Benzenoid
Monosaccharide
Oxane
Methyl ester
Vinylogous ester
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Alcohol
Primary alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.3	ALOGPS
logP	-0.063	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	8.11	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	221.9 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	125.47 m³·mol⁻¹	ChemAxon
Polarizability	52.68 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	214.501	30932474
DeepCCS	[M-H]-	212.106	30932474
DeepCCS	[M-2H]-	244.988	30932474
DeepCCS	[M+Na]+	220.543	30932474
AllCCS	[M+H]+	220.8	32859911
AllCCS	[M+H-H2O]+	219.3	32859911
AllCCS	[M+NH4]+	222.2	32859911
AllCCS	[M+Na]+	222.6	32859911
AllCCS	[M-H]-	212.9	32859911
AllCCS	[M+Na-2H]-	214.4	32859911
AllCCS	[M+HCOO]-	216.3	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Comuside,1TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4394.7	Semi standard non polar	33892256
Comuside,1TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3905.1	Standard non polar	33892256
Comuside,1TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6954.4	Standard polar	33892256
Comuside,1TMS,isomer #2	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4379.5	Semi standard non polar	33892256
Comuside,1TMS,isomer #2	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3833.3	Standard non polar	33892256
Comuside,1TMS,isomer #2	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6814.0	Standard polar	33892256
Comuside,1TMS,isomer #3	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4380.7	Semi standard non polar	33892256
Comuside,1TMS,isomer #3	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3837.1	Standard non polar	33892256
Comuside,1TMS,isomer #3	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6814.5	Standard polar	33892256
Comuside,1TMS,isomer #4	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4393.5	Semi standard non polar	33892256
Comuside,1TMS,isomer #4	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3844.1	Standard non polar	33892256
Comuside,1TMS,isomer #4	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6850.3	Standard polar	33892256
Comuside,1TMS,isomer #5	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4305.3	Semi standard non polar	33892256
Comuside,1TMS,isomer #5	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3902.8	Standard non polar	33892256
Comuside,1TMS,isomer #5	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	7049.1	Standard polar	33892256
Comuside,1TMS,isomer #6	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4270.8	Semi standard non polar	33892256
Comuside,1TMS,isomer #6	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3917.5	Standard non polar	33892256
Comuside,1TMS,isomer #6	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	7019.5	Standard polar	33892256
Comuside,2TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4283.0	Semi standard non polar	33892256
Comuside,2TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3896.2	Standard non polar	33892256
Comuside,2TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6172.9	Standard polar	33892256
Comuside,2TMS,isomer #10	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4287.2	Semi standard non polar	33892256
Comuside,2TMS,isomer #10	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3853.2	Standard non polar	33892256
Comuside,2TMS,isomer #10	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6064.5	Standard polar	33892256
Comuside,2TMS,isomer #11	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4152.3	Semi standard non polar	33892256
Comuside,2TMS,isomer #11	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3928.0	Standard non polar	33892256
Comuside,2TMS,isomer #11	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	6265.5	Standard polar	33892256
Comuside,2TMS,isomer #12	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4141.8	Semi standard non polar	33892256
Comuside,2TMS,isomer #12	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3937.3	Standard non polar	33892256
Comuside,2TMS,isomer #12	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	6277.0	Standard polar	33892256
Comuside,2TMS,isomer #13	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4183.4	Semi standard non polar	33892256
Comuside,2TMS,isomer #13	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3935.2	Standard non polar	33892256
Comuside,2TMS,isomer #13	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	6284.6	Standard polar	33892256
Comuside,2TMS,isomer #14	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4146.7	Semi standard non polar	33892256
Comuside,2TMS,isomer #14	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3943.4	Standard non polar	33892256
Comuside,2TMS,isomer #14	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	6296.1	Standard polar	33892256
Comuside,2TMS,isomer #15	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4180.9	Semi standard non polar	33892256
Comuside,2TMS,isomer #15	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3984.0	Standard non polar	33892256
Comuside,2TMS,isomer #15	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	6422.5	Standard polar	33892256
Comuside,2TMS,isomer #16	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4141.6	Semi standard non polar	33892256
Comuside,2TMS,isomer #16	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3981.4	Standard non polar	33892256
Comuside,2TMS,isomer #16	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	6367.6	Standard polar	33892256
Comuside,2TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4264.1	Semi standard non polar	33892256
Comuside,2TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3907.0	Standard non polar	33892256
Comuside,2TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6184.4	Standard polar	33892256
Comuside,2TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4292.9	Semi standard non polar	33892256
Comuside,2TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3904.0	Standard non polar	33892256
Comuside,2TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6202.4	Standard polar	33892256
Comuside,2TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4171.2	Semi standard non polar	33892256
Comuside,2TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3979.6	Standard non polar	33892256
Comuside,2TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	6360.9	Standard polar	33892256
Comuside,2TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4135.5	Semi standard non polar	33892256
Comuside,2TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3988.1	Standard non polar	33892256
Comuside,2TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	6370.8	Standard polar	33892256
Comuside,2TMS,isomer #6	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4284.7	Semi standard non polar	33892256
Comuside,2TMS,isomer #6	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3843.2	Standard non polar	33892256
Comuside,2TMS,isomer #6	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6027.9	Standard polar	33892256
Comuside,2TMS,isomer #7	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4277.4	Semi standard non polar	33892256
Comuside,2TMS,isomer #7	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3863.0	Standard non polar	33892256
Comuside,2TMS,isomer #7	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6098.9	Standard polar	33892256
Comuside,2TMS,isomer #8	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4181.6	Semi standard non polar	33892256
Comuside,2TMS,isomer #8	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3920.6	Standard non polar	33892256
Comuside,2TMS,isomer #8	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	6251.2	Standard polar	33892256
Comuside,2TMS,isomer #9	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4151.7	Semi standard non polar	33892256
Comuside,2TMS,isomer #9	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3928.5	Standard non polar	33892256
Comuside,2TMS,isomer #9	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	6263.2	Standard polar	33892256
Comuside,3TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4190.3	Semi standard non polar	33892256
Comuside,3TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3872.4	Standard non polar	33892256
Comuside,3TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5557.1	Standard polar	33892256
Comuside,3TMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4078.3	Semi standard non polar	33892256
Comuside,3TMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4033.8	Standard non polar	33892256
Comuside,3TMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5920.9	Standard polar	33892256
Comuside,3TMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4045.7	Semi standard non polar	33892256
Comuside,3TMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4031.3	Standard non polar	33892256
Comuside,3TMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5882.2	Standard polar	33892256
Comuside,3TMS,isomer #12	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4193.4	Semi standard non polar	33892256
Comuside,3TMS,isomer #12	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3828.7	Standard non polar	33892256
Comuside,3TMS,isomer #12	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5462.3	Standard polar	33892256
Comuside,3TMS,isomer #13	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4080.1	Semi standard non polar	33892256
Comuside,3TMS,isomer #13	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3911.4	Standard non polar	33892256
Comuside,3TMS,isomer #13	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5659.9	Standard polar	33892256
Comuside,3TMS,isomer #14	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4057.7	Semi standard non polar	33892256
Comuside,3TMS,isomer #14	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3918.9	Standard non polar	33892256
Comuside,3TMS,isomer #14	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5689.4	Standard polar	33892256
Comuside,3TMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4079.9	Semi standard non polar	33892256
Comuside,3TMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3938.6	Standard non polar	33892256
Comuside,3TMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5723.0	Standard polar	33892256
Comuside,3TMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4052.0	Semi standard non polar	33892256
Comuside,3TMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3946.3	Standard non polar	33892256
Comuside,3TMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5748.1	Standard polar	33892256
Comuside,3TMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4096.0	Semi standard non polar	33892256
Comuside,3TMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3978.9	Standard non polar	33892256
Comuside,3TMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5839.9	Standard polar	33892256
Comuside,3TMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4065.7	Semi standard non polar	33892256
Comuside,3TMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3979.7	Standard non polar	33892256
Comuside,3TMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5802.6	Standard polar	33892256
Comuside,3TMS,isomer #19	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4072.4	Semi standard non polar	33892256
Comuside,3TMS,isomer #19	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3923.7	Standard non polar	33892256
Comuside,3TMS,isomer #19	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5692.7	Standard polar	33892256
Comuside,3TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4191.2	Semi standard non polar	33892256
Comuside,3TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3906.6	Standard non polar	33892256
Comuside,3TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5624.3	Standard polar	33892256
Comuside,3TMS,isomer #20	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4047.2	Semi standard non polar	33892256
Comuside,3TMS,isomer #20	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3931.2	Standard non polar	33892256
Comuside,3TMS,isomer #20	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5720.7	Standard polar	33892256
Comuside,3TMS,isomer #21	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4070.1	Semi standard non polar	33892256
Comuside,3TMS,isomer #21	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3982.0	Standard non polar	33892256
Comuside,3TMS,isomer #21	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5866.1	Standard polar	33892256
Comuside,3TMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4040.2	Semi standard non polar	33892256
Comuside,3TMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3982.9	Standard non polar	33892256
Comuside,3TMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5828.2	Standard polar	33892256
Comuside,3TMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4078.3	Semi standard non polar	33892256
Comuside,3TMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3994.7	Standard non polar	33892256
Comuside,3TMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5869.2	Standard polar	33892256
Comuside,3TMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4056.2	Semi standard non polar	33892256
Comuside,3TMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3995.4	Standard non polar	33892256
Comuside,3TMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5831.3	Standard polar	33892256
Comuside,3TMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4101.4	Semi standard non polar	33892256
Comuside,3TMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4020.1	Standard non polar	33892256
Comuside,3TMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5860.4	Standard polar	33892256
Comuside,3TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4083.6	Semi standard non polar	33892256
Comuside,3TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3970.0	Standard non polar	33892256
Comuside,3TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5764.7	Standard polar	33892256
Comuside,3TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4043.7	Semi standard non polar	33892256
Comuside,3TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3975.5	Standard non polar	33892256
Comuside,3TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5791.5	Standard polar	33892256
Comuside,3TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4180.0	Semi standard non polar	33892256
Comuside,3TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3880.2	Standard non polar	33892256
Comuside,3TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5589.5	Standard polar	33892256
Comuside,3TMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4059.7	Semi standard non polar	33892256
Comuside,3TMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3974.2	Standard non polar	33892256
Comuside,3TMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5790.3	Standard polar	33892256
Comuside,3TMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4042.8	Semi standard non polar	33892256
Comuside,3TMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3980.5	Standard non polar	33892256
Comuside,3TMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5814.9	Standard polar	33892256
Comuside,3TMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4084.6	Semi standard non polar	33892256
Comuside,3TMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3980.3	Standard non polar	33892256
Comuside,3TMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5792.2	Standard polar	33892256
Comuside,3TMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	4049.1	Semi standard non polar	33892256
Comuside,3TMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3985.7	Standard non polar	33892256
Comuside,3TMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5818.2	Standard polar	33892256
Comuside,4TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4122.7	Semi standard non polar	33892256
Comuside,4TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	3856.8	Standard non polar	33892256
Comuside,4TMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5093.1	Standard polar	33892256
Comuside,4TMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3998.0	Semi standard non polar	33892256
Comuside,4TMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4005.8	Standard non polar	33892256
Comuside,4TMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5494.4	Standard polar	33892256
Comuside,4TMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3966.3	Semi standard non polar	33892256
Comuside,4TMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4008.1	Standard non polar	33892256
Comuside,4TMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5466.8	Standard polar	33892256
Comuside,4TMS,isomer #12	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3999.0	Semi standard non polar	33892256
Comuside,4TMS,isomer #12	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4014.9	Standard non polar	33892256
Comuside,4TMS,isomer #12	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5488.7	Standard polar	33892256
Comuside,4TMS,isomer #13	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3974.0	Semi standard non polar	33892256
Comuside,4TMS,isomer #13	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4016.8	Standard non polar	33892256
Comuside,4TMS,isomer #13	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5460.4	Standard polar	33892256
Comuside,4TMS,isomer #14	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4009.4	Semi standard non polar	33892256
Comuside,4TMS,isomer #14	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4056.0	Standard non polar	33892256
Comuside,4TMS,isomer #14	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5486.4	Standard polar	33892256
Comuside,4TMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4004.1	Semi standard non polar	33892256
Comuside,4TMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3893.9	Standard non polar	33892256
Comuside,4TMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5211.4	Standard polar	33892256
Comuside,4TMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3972.2	Semi standard non polar	33892256
Comuside,4TMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3900.0	Standard non polar	33892256
Comuside,4TMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5250.5	Standard polar	33892256
Comuside,4TMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4004.9	Semi standard non polar	33892256
Comuside,4TMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3947.1	Standard non polar	33892256
Comuside,4TMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5383.4	Standard polar	33892256
Comuside,4TMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3983.6	Semi standard non polar	33892256
Comuside,4TMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3950.6	Standard non polar	33892256
Comuside,4TMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5357.3	Standard polar	33892256
Comuside,4TMS,isomer #19	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4000.3	Semi standard non polar	33892256
Comuside,4TMS,isomer #19	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3976.1	Standard non polar	33892256
Comuside,4TMS,isomer #19	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5439.1	Standard polar	33892256
Comuside,4TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4011.5	Semi standard non polar	33892256
Comuside,4TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3934.7	Standard non polar	33892256
Comuside,4TMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5292.5	Standard polar	33892256
Comuside,4TMS,isomer #20	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3982.5	Semi standard non polar	33892256
Comuside,4TMS,isomer #20	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3980.5	Standard non polar	33892256
Comuside,4TMS,isomer #20	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5412.9	Standard polar	33892256
Comuside,4TMS,isomer #21	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4031.6	Semi standard non polar	33892256
Comuside,4TMS,isomer #21	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4009.7	Standard non polar	33892256
Comuside,4TMS,isomer #21	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5424.2	Standard polar	33892256
Comuside,4TMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3983.6	Semi standard non polar	33892256
Comuside,4TMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	3957.8	Standard non polar	33892256
Comuside,4TMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5411.6	Standard polar	33892256
Comuside,4TMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3966.5	Semi standard non polar	33892256
Comuside,4TMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3961.9	Standard non polar	33892256
Comuside,4TMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5385.6	Standard polar	33892256
Comuside,4TMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3997.5	Semi standard non polar	33892256
Comuside,4TMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4004.6	Standard non polar	33892256
Comuside,4TMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5457.2	Standard polar	33892256
Comuside,4TMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4013.8	Semi standard non polar	33892256
Comuside,4TMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4019.8	Standard non polar	33892256
Comuside,4TMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5452.7	Standard polar	33892256
Comuside,4TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3994.2	Semi standard non polar	33892256
Comuside,4TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3938.6	Standard non polar	33892256
Comuside,4TMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5330.1	Standard polar	33892256
Comuside,4TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	4015.4	Semi standard non polar	33892256
Comuside,4TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3970.1	Standard non polar	33892256
Comuside,4TMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5349.0	Standard polar	33892256
Comuside,4TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3984.3	Semi standard non polar	33892256
Comuside,4TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3973.9	Standard non polar	33892256
Comuside,4TMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5385.7	Standard polar	33892256
Comuside,4TMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4007.2	Semi standard non polar	33892256
Comuside,4TMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	4006.3	Standard non polar	33892256
Comuside,4TMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1	5462.1	Standard polar	33892256
Comuside,4TMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3975.4	Semi standard non polar	33892256
Comuside,4TMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4007.4	Standard non polar	33892256
Comuside,4TMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5434.4	Standard polar	33892256
Comuside,4TMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3996.9	Semi standard non polar	33892256
Comuside,4TMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	3944.0	Standard non polar	33892256
Comuside,4TMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1	5319.6	Standard polar	33892256
Comuside,4TMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3970.2	Semi standard non polar	33892256
Comuside,4TMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	3947.2	Standard non polar	33892256
Comuside,4TMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1	5357.1	Standard polar	33892256
Comuside,1TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4578.4	Semi standard non polar	33892256
Comuside,1TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4112.9	Standard non polar	33892256
Comuside,1TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6779.1	Standard polar	33892256
Comuside,1TBDMS,isomer #2	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4602.5	Semi standard non polar	33892256
Comuside,1TBDMS,isomer #2	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4039.5	Standard non polar	33892256
Comuside,1TBDMS,isomer #2	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6648.0	Standard polar	33892256
Comuside,1TBDMS,isomer #3	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4595.0	Semi standard non polar	33892256
Comuside,1TBDMS,isomer #3	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4046.5	Standard non polar	33892256
Comuside,1TBDMS,isomer #3	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6644.8	Standard polar	33892256
Comuside,1TBDMS,isomer #4	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4603.0	Semi standard non polar	33892256
Comuside,1TBDMS,isomer #4	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4052.3	Standard non polar	33892256
Comuside,1TBDMS,isomer #4	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6679.9	Standard polar	33892256
Comuside,1TBDMS,isomer #5	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4524.9	Semi standard non polar	33892256
Comuside,1TBDMS,isomer #5	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4111.0	Standard non polar	33892256
Comuside,1TBDMS,isomer #5	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	6803.1	Standard polar	33892256
Comuside,1TBDMS,isomer #6	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4514.2	Semi standard non polar	33892256
Comuside,1TBDMS,isomer #6	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4127.6	Standard non polar	33892256
Comuside,1TBDMS,isomer #6	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	6794.8	Standard polar	33892256
Comuside,2TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4659.0	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4264.7	Standard non polar	33892256
Comuside,2TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6033.5	Standard polar	33892256
Comuside,2TBDMS,isomer #10	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4671.7	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #10	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4220.7	Standard non polar	33892256
Comuside,2TBDMS,isomer #10	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5955.6	Standard polar	33892256
Comuside,2TBDMS,isomer #11	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4587.8	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #11	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4289.3	Standard non polar	33892256
Comuside,2TBDMS,isomer #11	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	6090.7	Standard polar	33892256
Comuside,2TBDMS,isomer #12	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4619.0	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #12	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4297.0	Standard non polar	33892256
Comuside,2TBDMS,isomer #12	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	6115.6	Standard polar	33892256
Comuside,2TBDMS,isomer #13	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4603.4	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #13	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4305.1	Standard non polar	33892256
Comuside,2TBDMS,isomer #13	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	6105.9	Standard polar	33892256
Comuside,2TBDMS,isomer #14	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4606.2	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #14	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4314.0	Standard non polar	33892256
Comuside,2TBDMS,isomer #14	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	6131.0	Standard polar	33892256
Comuside,2TBDMS,isomer #15	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4627.0	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #15	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4350.8	Standard non polar	33892256
Comuside,2TBDMS,isomer #15	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	6198.4	Standard polar	33892256
Comuside,2TBDMS,isomer #16	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4592.4	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #16	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4351.5	Standard non polar	33892256
Comuside,2TBDMS,isomer #16	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	6179.6	Standard polar	33892256
Comuside,2TBDMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4653.2	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4273.0	Standard non polar	33892256
Comuside,2TBDMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6042.2	Standard polar	33892256
Comuside,2TBDMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4672.5	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4276.9	Standard non polar	33892256
Comuside,2TBDMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	6057.6	Standard polar	33892256
Comuside,2TBDMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4589.5	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4359.4	Standard non polar	33892256
Comuside,2TBDMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	6164.6	Standard polar	33892256
Comuside,2TBDMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4583.1	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4367.5	Standard non polar	33892256
Comuside,2TBDMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	6189.7	Standard polar	33892256
Comuside,2TBDMS,isomer #6	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4667.6	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #6	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4206.9	Standard non polar	33892256
Comuside,2TBDMS,isomer #6	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5925.5	Standard polar	33892256
Comuside,2TBDMS,isomer #7	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4671.4	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #7	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4231.4	Standard non polar	33892256
Comuside,2TBDMS,isomer #7	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5978.4	Standard polar	33892256
Comuside,2TBDMS,isomer #8	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4605.8	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #8	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4289.5	Standard non polar	33892256
Comuside,2TBDMS,isomer #8	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	6078.6	Standard polar	33892256
Comuside,2TBDMS,isomer #9	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4624.4	Semi standard non polar	33892256
Comuside,2TBDMS,isomer #9	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4297.7	Standard non polar	33892256
Comuside,2TBDMS,isomer #9	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	6104.3	Standard polar	33892256
Comuside,3TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4733.8	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4373.5	Standard non polar	33892256
Comuside,3TBDMS,isomer #1	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5550.3	Standard polar	33892256
Comuside,3TBDMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4686.4	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4549.1	Standard non polar	33892256
Comuside,3TBDMS,isomer #10	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5803.2	Standard polar	33892256
Comuside,3TBDMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4634.0	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4548.6	Standard non polar	33892256
Comuside,3TBDMS,isomer #11	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	5793.3	Standard polar	33892256
Comuside,3TBDMS,isomer #12	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4744.3	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #12	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4333.4	Standard non polar	33892256
Comuside,3TBDMS,isomer #12	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5482.8	Standard polar	33892256
Comuside,3TBDMS,isomer #13	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4691.3	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #13	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4413.1	Standard non polar	33892256
Comuside,3TBDMS,isomer #13	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5613.5	Standard polar	33892256
Comuside,3TBDMS,isomer #14	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4739.7	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #14	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4414.3	Standard non polar	33892256
Comuside,3TBDMS,isomer #14	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	5649.5	Standard polar	33892256
Comuside,3TBDMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4673.4	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4452.0	Standard non polar	33892256
Comuside,3TBDMS,isomer #15	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5660.2	Standard polar	33892256
Comuside,3TBDMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4728.8	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4454.0	Standard non polar	33892256
Comuside,3TBDMS,isomer #16	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	5695.4	Standard polar	33892256
Comuside,3TBDMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4733.5	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4489.1	Standard non polar	33892256
Comuside,3TBDMS,isomer #17	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5738.5	Standard polar	33892256
Comuside,3TBDMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4688.2	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4489.3	Standard non polar	33892256
Comuside,3TBDMS,isomer #18	C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	5728.9	Standard polar	33892256
Comuside,3TBDMS,isomer #19	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4681.7	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #19	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4428.1	Standard non polar	33892256
Comuside,3TBDMS,isomer #19	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5636.9	Standard polar	33892256
Comuside,3TBDMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4734.6	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4413.7	Standard non polar	33892256
Comuside,3TBDMS,isomer #2	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5595.4	Standard polar	33892256
Comuside,3TBDMS,isomer #20	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4729.5	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #20	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4429.6	Standard non polar	33892256
Comuside,3TBDMS,isomer #20	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	5672.7	Standard polar	33892256
Comuside,3TBDMS,isomer #21	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4731.7	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #21	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4475.1	Standard non polar	33892256
Comuside,3TBDMS,isomer #21	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5752.7	Standard polar	33892256
Comuside,3TBDMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4681.5	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4475.9	Standard non polar	33892256
Comuside,3TBDMS,isomer #22	C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	5743.1	Standard polar	33892256
Comuside,3TBDMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4714.3	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4504.2	Standard non polar	33892256
Comuside,3TBDMS,isomer #23	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5763.1	Standard polar	33892256
Comuside,3TBDMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4666.1	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4505.1	Standard non polar	33892256
Comuside,3TBDMS,isomer #24	C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	5752.7	Standard polar	33892256
Comuside,3TBDMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4676.0	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4530.7	Standard non polar	33892256
Comuside,3TBDMS,isomer #25	C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	5770.8	Standard polar	33892256
Comuside,3TBDMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4650.9	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4485.8	Standard non polar	33892256
Comuside,3TBDMS,isomer #3	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5692.4	Standard polar	33892256
Comuside,3TBDMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4694.4	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4485.3	Standard non polar	33892256
Comuside,3TBDMS,isomer #4	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	5727.8	Standard polar	33892256
Comuside,3TBDMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4730.8	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	4382.4	Standard non polar	33892256
Comuside,3TBDMS,isomer #5	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O)=C1	5570.8	Standard polar	33892256
Comuside,3TBDMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4662.7	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4481.4	Standard non polar	33892256
Comuside,3TBDMS,isomer #6	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5706.0	Standard polar	33892256
Comuside,3TBDMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4711.3	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4480.8	Standard non polar	33892256
Comuside,3TBDMS,isomer #7	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	5740.9	Standard polar	33892256
Comuside,3TBDMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4653.4	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4499.5	Standard non polar	33892256
Comuside,3TBDMS,isomer #8	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	5713.8	Standard polar	33892256
Comuside,3TBDMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4689.0	Semi standard non polar	33892256
Comuside,3TBDMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4499.4	Standard non polar	33892256
Comuside,3TBDMS,isomer #9	C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CCOC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	5748.9	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Comuside 10V, Positive-QTOF	splash10-03ec-0309030000-4eced0c1c7c41c43477f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Comuside 20V, Positive-QTOF	splash10-06s6-1829000000-01f42910f818acce82c8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Comuside 40V, Positive-QTOF	splash10-01ow-5922100000-8c6d56f94f426f6a6766	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Comuside 10V, Negative-QTOF	splash10-03fu-0209030000-9b2c5b18aa15cc2efbf7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Comuside 20V, Negative-QTOF	splash10-0pi0-0409220000-3e58a322386371c6db71	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Comuside 40V, Negative-QTOF	splash10-00or-1906000000-0d8251c2d069ab0ac995	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4367730

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5196231

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Comuside (HMDB0250428)

MOL for HMDB0250428 (Comuside)

3D MOL for HMDB0250428 (Comuside)

3D SDF for HMDB0250428 (Comuside)

3D-SDF for HMDB0250428 (Comuside)

PDB for HMDB0250428 (Comuside)

3D PDB for HMDB0250428 (Comuside)

SMILES for HMDB0250428 (Comuside)

INCHI for HMDB0250428 (Comuside)

Structure for HMDB0250428 (Comuside)

3D Structure for HMDB0250428 (Comuside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra