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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:00:09 UTC

Update Date

2022-03-07 02:55:29 UTC

HMDB ID

HMDB0037746

Secondary Accession Numbers

HMDB37746

Metabolite Identification

Common Name

Keioside

Description

Keioside, also known as i-rha-gal or narcissin, belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Based on a literature review very few articles have been published on Keioside.

Structure

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


  Mrv0541 02241214312D          

 44 48  0  0  0  0            999 V2000
    2.1437   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286   -4.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4286    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
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 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  1  0  0  0  0
 20 24  1  0  0  0  0
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 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
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 28 33  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 41  1  0  0  0  0
 38 39  1  0  0  0  0
 38 44  1  0  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 40 42  1  0  0  0  0
M  END

HMDB0037746
     RDKit          3D
Keioside
 76 80  0  0  0  0  0  0  0  0999 V2000
   -4.1250   -4.5528   -1.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1752   -3.7121   -1.6454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2940   -2.4071   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4274   -1.7686   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5397   -0.4766    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547    0.2439    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0888    1.4260    1.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061    2.1786    2.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909    3.3862    2.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1871    4.1962    3.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512    5.4197    3.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    3.7593    3.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967    2.5736    3.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3684   -1.1179   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -1.7079    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1252    1.8766   -1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6653    3.1736   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4997    1.5090   -0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  6  2  0
 39 20  1  0
 15  8  1  0
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 37 70  1  0
 38 71  1  0
 39 72  1  0
 40 73  1  0
 41 74  1  0
 42 75  1  0
 44 76  1  0
M  END


  Mrv0541 02241214312D          

 44 48  0  0  0  0            999 V2000
    2.1437   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286   -4.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7150    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
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 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  1  0  0  0  0
 20 24  1  0  0  0  0
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 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 41  1  0  0  0  0
 38 39  1  0  0  0  0
 38 44  1  0  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037746

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3

> <INCHI_KEY>
UIDGLYUNOUKLBM-UHFFFAOYSA-N

> <FORMULA>
C28H32O16

> <MOLECULAR_WEIGHT>
624.5441

> <EXACT_MASS>
624.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
59.64920158562621

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.16

> <JCHEM_LOGP>
-0.7228669189999998

> <ALOGPS_LOGS>
-2.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.762786468499419

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.4361321933509235

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648686043788379

> <JCHEM_POLAR_SURFACE_AREA>
254.51999999999995

> <JCHEM_REFRACTIVITY>
144.6274

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.80e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037746
     RDKit          3D
Keioside
 76 80  0  0  0  0  0  0  0  0999 V2000
   -4.1250   -4.5528   -1.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2940   -2.4071   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7344   -0.1837   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1197   -1.4304   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2441   -0.7496    1.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4166   -0.4818   -2.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0702   -1.7763   -2.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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  5 41  2  0
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 43  3  1  0
 18  6  2  0
 39 20  1  0
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 42 75  1  0
 44 76  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       4.002  -7.315   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -8.085   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.332  -7.315   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.332  -5.775   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -5.005   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.002  -5.775   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.000  -5.005   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.335  -5.775   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.667  -5.005   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -3.465   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.335  -2.695   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.000  -3.465   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.001  -5.775   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.336  -5.005   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.336  -3.465   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.001  -2.695   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.334  -5.005   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.334  -8.085   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.668  -5.775   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.332  -2.695   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.668  -5.775   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.335  -1.155   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -4.001  -1.155   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.332  -1.155   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.000  -0.385   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.000   1.155   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.332   1.925   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.667   1.155   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667  -0.385   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.335   1.925   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.335   3.465   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.002  -1.155   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.002   1.925   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.332   3.465   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.667   4.235   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -4.001   3.465   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -5.336   4.235   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.336   5.775   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.001   6.545   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -2.667   5.775   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.668   3.465   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -1.335   6.545   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -4.001   8.085   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -6.668   6.545   0.000  0.00  0.00           O+0
CONECT    1    2    6   18                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5   17                                                  
CONECT    7    4    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   13                                                  
CONECT   10    9   11   16                                                  
CONECT   11   10   12   22                                                  
CONECT   12    7   11   20                                                  
CONECT   13    9   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   10   15   23                                                  
CONECT   17    6   19                                                       
CONECT   18    1                                                            
CONECT   19   17                                                            
CONECT   20   12   24                                                       
CONECT   21   14                                                            
CONECT   22   11                                                            
CONECT   23   16                                                            
CONECT   24   20   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28   34                                                  
CONECT   28   27   29   33                                                  
CONECT   29   24   28   32                                                  
CONECT   30   26   31                                                       
CONECT   31   30   35                                                       
CONECT   32   29                                                            
CONECT   33   28                                                            
CONECT   34   27                                                            
CONECT   35   31   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   41                                                  
CONECT   38   37   39   44                                                  
CONECT   39   38   40   43                                                  
CONECT   40   35   39   42                                                  
CONECT   41   37                                                            
CONECT   42   40                                                            
CONECT   43   39                                                            
CONECT   44   38                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0037746
HETATM    1  C1  UNL     1      -4.125  -4.553  -1.259  1.00  0.00           C  
HETATM    2  O1  UNL     1      -5.175  -3.712  -1.645  1.00  0.00           O  
HETATM    3  C2  UNL     1      -5.294  -2.407  -1.222  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.427  -1.769  -0.369  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.540  -0.477   0.052  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.655   0.244   0.931  1.00  0.00           C  
HETATM    7  O2  UNL     1      -4.089   1.426   1.402  1.00  0.00           O  
HETATM    8  C6  UNL     1      -3.406   2.179   2.209  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.891   3.386   2.666  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.187   4.196   3.516  1.00  0.00           C  
HETATM   11  O3  UNL     1      -3.651   5.420   3.991  1.00  0.00           O  
HETATM   12  C9  UNL     1      -1.936   3.759   3.919  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.397   2.574   3.503  1.00  0.00           C  
HETATM   14  O4  UNL     1      -0.156   2.120   3.890  1.00  0.00           O  
HETATM   15  C11 UNL     1      -2.154   1.796   2.644  1.00  0.00           C  
HETATM   16  C12 UNL     1      -1.624   0.609   2.217  1.00  0.00           C  
HETATM   17  O5  UNL     1      -0.504   0.173   2.551  1.00  0.00           O  
HETATM   18  C13 UNL     1      -2.428  -0.160   1.335  1.00  0.00           C  
HETATM   19  O6  UNL     1      -1.877  -1.362   0.883  1.00  0.00           O  
HETATM   20  C14 UNL     1      -0.917  -1.266  -0.143  1.00  0.00           C  
HETATM   21  O7  UNL     1       0.339  -1.707   0.380  1.00  0.00           O  
HETATM   22  C15 UNL     1       1.368  -1.118  -0.391  1.00  0.00           C  
HETATM   23  C16 UNL     1       2.667  -1.708   0.133  1.00  0.00           C  
HETATM   24  O8  UNL     1       3.806  -1.194  -0.409  1.00  0.00           O  
HETATM   25  C17 UNL     1       4.038   0.163  -0.087  1.00  0.00           C  
HETATM   26  O9  UNL     1       4.161   0.935  -1.181  1.00  0.00           O  
HETATM   27  C18 UNL     1       5.125   1.877  -1.257  1.00  0.00           C  
HETATM   28  C19 UNL     1       4.665   3.174  -0.612  1.00  0.00           C  
HETATM   29  C20 UNL     1       6.500   1.509  -0.811  1.00  0.00           C  
HETATM   30  O10 UNL     1       7.406   1.371  -1.865  1.00  0.00           O  
HETATM   31  C21 UNL     1       6.529   0.350   0.120  1.00  0.00           C  
HETATM   32  O11 UNL     1       6.865  -0.806  -0.549  1.00  0.00           O  
HETATM   33  C22 UNL     1       5.226   0.236   0.862  1.00  0.00           C  
HETATM   34  O12 UNL     1       5.006   1.250   1.777  1.00  0.00           O  
HETATM   35  C23 UNL     1       1.259  -1.563  -1.834  1.00  0.00           C  
HETATM   36  O13 UNL     1       2.047  -0.679  -2.602  1.00  0.00           O  
HETATM   37  C24 UNL     1      -0.106  -1.510  -2.398  1.00  0.00           C  
HETATM   38  O14 UNL     1      -0.158  -2.276  -3.569  1.00  0.00           O  
HETATM   39  C25 UNL     1      -1.111  -2.079  -1.369  1.00  0.00           C  
HETATM   40  O15 UNL     1      -0.755  -3.429  -1.115  1.00  0.00           O  
HETATM   41  C26 UNL     1      -5.650   0.215  -0.457  1.00  0.00           C  
HETATM   42  C27 UNL     1      -6.553  -0.364  -1.313  1.00  0.00           C  
HETATM   43  C28 UNL     1      -6.388  -1.668  -1.700  1.00  0.00           C  
HETATM   44  O16 UNL     1      -7.280  -2.294  -2.566  1.00  0.00           O  
HETATM   45  H1  UNL     1      -4.384  -5.632  -1.347  1.00  0.00           H  
HETATM   46  H2  UNL     1      -3.239  -4.437  -1.962  1.00  0.00           H  
HETATM   47  H3  UNL     1      -3.755  -4.291  -0.266  1.00  0.00           H  
HETATM   48  H4  UNL     1      -3.591  -2.340   0.025  1.00  0.00           H  
HETATM   49  H5  UNL     1      -4.878   3.711   2.335  1.00  0.00           H  
HETATM   50  H6  UNL     1      -4.176   5.391   4.854  1.00  0.00           H  
HETATM   51  H7  UNL     1      -1.364   4.392   4.595  1.00  0.00           H  
HETATM   52  H8  UNL     1       0.400   2.712   4.524  1.00  0.00           H  
HETATM   53  H9  UNL     1      -0.734  -0.184  -0.404  1.00  0.00           H  
HETATM   54  H10 UNL     1       1.303  -0.035  -0.336  1.00  0.00           H  
HETATM   55  H11 UNL     1       2.639  -2.798  -0.063  1.00  0.00           H  
HETATM   56  H12 UNL     1       2.667  -1.491   1.241  1.00  0.00           H  
HETATM   57  H13 UNL     1       3.175   0.489   0.522  1.00  0.00           H  
HETATM   58  H14 UNL     1       5.222   2.141  -2.357  1.00  0.00           H  
HETATM   59  H15 UNL     1       5.472   3.560   0.071  1.00  0.00           H  
HETATM   60  H16 UNL     1       4.369   3.944  -1.342  1.00  0.00           H  
HETATM   61  H17 UNL     1       3.779   2.984   0.019  1.00  0.00           H  
HETATM   62  H18 UNL     1       6.906   2.394  -0.226  1.00  0.00           H  
HETATM   63  H19 UNL     1       6.935   0.827  -2.556  1.00  0.00           H  
HETATM   64  H20 UNL     1       7.326   0.494   0.898  1.00  0.00           H  
HETATM   65  H21 UNL     1       6.120  -1.430  -0.676  1.00  0.00           H  
HETATM   66  H22 UNL     1       5.244  -0.750   1.395  1.00  0.00           H  
HETATM   67  H23 UNL     1       4.604   0.861   2.576  1.00  0.00           H  
HETATM   68  H24 UNL     1       1.736  -2.571  -1.923  1.00  0.00           H  
HETATM   69  H25 UNL     1       1.629   0.225  -2.641  1.00  0.00           H  
HETATM   70  H26 UNL     1      -0.417  -0.482  -2.576  1.00  0.00           H  
HETATM   71  H27 UNL     1       0.706  -2.218  -4.052  1.00  0.00           H  
HETATM   72  H28 UNL     1      -2.093  -2.117  -1.817  1.00  0.00           H  
HETATM   73  H29 UNL     1      -0.880  -3.897  -1.988  1.00  0.00           H  
HETATM   74  H30 UNL     1      -5.810   1.264  -0.165  1.00  0.00           H  
HETATM   75  H31 UNL     1      -7.414   0.201  -1.696  1.00  0.00           H  
HETATM   76  H32 UNL     1      -8.070  -1.776  -2.915  1.00  0.00           H  
CONECT    1    2   45   46   47
CONECT    2    3
CONECT    3    4    4   43
CONECT    4    5   48
CONECT    5    6   41   41
CONECT    6    7   18   18
CONECT    7    8
CONECT    8    9    9   15
CONECT    9   10   49
CONECT   10   11   12   12
CONECT   11   50
CONECT   12   13   51
CONECT   13   14   15   15
CONECT   14   52
CONECT   15   16
CONECT   16   17   17   18
CONECT   18   19
CONECT   19   20
CONECT   20   21   39   53
CONECT   21   22
CONECT   22   23   35   54
CONECT   23   24   55   56
CONECT   24   25
CONECT   25   26   33   57
CONECT   26   27
CONECT   27   28   29   58
CONECT   28   59   60   61
CONECT   29   30   31   62
CONECT   30   63
CONECT   31   32   33   64
CONECT   32   65
CONECT   33   34   66
CONECT   34   67
CONECT   35   36   37   68
CONECT   36   69
CONECT   37   38   39   70
CONECT   38   71
CONECT   39   40   72
CONECT   40   73
CONECT   41   42   74
CONECT   42   43   43   75
CONECT   43   44
CONECT   44   76
END

HMDB0037746
     RDKit          3D
Keioside
 76 80  0  0  0  0  0  0  0  0999 V2000
   -4.1250   -4.5528   -1.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1752   -3.7121   -1.6454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2940   -2.4071   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4274   -1.7686   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5397   -0.4766    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547    0.2439    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0888    1.4260    1.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061    2.1786    2.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909    3.3862    2.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1871    4.1962    3.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512    5.4197    3.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    3.7593    3.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967    2.5736    3.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1563    2.1197    3.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1536    1.7960    2.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240    0.6094    2.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040    0.1727    2.5507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4282   -0.1598    1.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -1.3623    0.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166   -1.2656   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389   -1.7070    0.3802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684   -1.1179   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -1.7079    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8065   -1.1940   -0.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0381    0.1629   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1613    0.9345   -1.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252    1.8766   -1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6653    3.1736   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4997    1.5090   -0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4065    1.3711   -1.8655 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5289    0.3501    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8654   -0.8062   -0.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    0.2359    0.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0059    1.2503    1.7773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595   -1.5633   -1.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -0.6794   -2.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062   -1.5102   -2.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576   -2.2757   -3.5686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115   -2.0786   -1.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -3.4287   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6497    0.2148   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5527   -0.3645   -1.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3880   -1.6679   -1.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2801   -2.2936   -2.5657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3845   -5.6323   -1.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2392   -4.4372   -1.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7553   -4.2912   -0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5912   -2.3397    0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8783    3.7108    2.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    5.3910    4.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638    4.3917    4.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.7117    4.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344   -0.1837   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028   -0.0346   -0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6386   -2.7981   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674   -1.4915    1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749    0.4887    0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220    2.1412   -2.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4720    3.5595    0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    3.9444   -1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    2.9843    0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    2.3941   -0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347    0.8272   -2.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3262    0.4936    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1197   -1.4304   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2441   -0.7496    1.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037    0.8608    2.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7362   -2.5710   -1.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    0.2254   -2.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4166   -0.4818   -2.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -2.2182   -4.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930   -2.1171   -1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797   -3.8970   -1.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8098    1.2637   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4145    0.2014   -1.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0702   -1.7763   -2.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  2  0
  9 10  1  0
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 31 33  1  0
 33 34  1  0
 22 35  1  0
 35 36  1  0
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 37 38  1  0
 37 39  1  0
 39 40  1  0
  5 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 43  3  1  0
 18  6  2  0
 39 20  1  0
 15  8  1  0
 33 25  1  0
  1 45  1  0
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  1 47  1  0
  4 48  1  0
  9 49  1  0
 11 50  1  0
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 37 70  1  0
 38 71  1  0
 39 72  1  0
 40 73  1  0
 41 74  1  0
 42 75  1  0
 44 76  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
I-rha-gal	HMDB
Isorhamnetin 3-robinobioside	HMDB
Narcissin	MeSH
Narcissin flavonol	MeSH

Chemical Formula

C₂₈H₃₂O₁₆

Average Molecular Weight

624.5441

Monoisotopic Molecular Weight

624.169034976

IUPAC Name

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

Traditional Name

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

CAS Registry Number

107740-46-5

SMILES

COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1

InChI Identifier

InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3

InChI Key

UIDGLYUNOUKLBM-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cytoplasm (FooDB: )
Extracellular (FooDB: )

Route of exposure

Enteral

Ingestion (FooDB: )

Source

Exogenous

Food

Food (FooDB: )

Pulse

Bean

Common bean (FooDB: FOOD00134)

Fruit

Pome

Pear (FooDB: FOOD00152)
Asian pear (FooDB: FOOD00291)

Berry

Sea-buckthornberry (FooDB: FOOD00087)

Vegetable

Root vegetable

Swede (FooDB: FOOD00028)

Herb and spice

Other seed

Ginkgo nuts (FooDB: FOOD00367)

Endogenous

Plant

Plant (FooDB: )

Not Available

Nutrient (FooDB: )

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	183 - 186 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	2048 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.8 g/L	ALOGPS
logP	0.16	ALOGPS
logP	-0.72	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	6.44	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	254.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	144.63 m³·mol⁻¹	ChemAxon
Polarizability	59.65 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	228.013	30932474
DeepCCS	[M-H]-	225.618	30932474
DeepCCS	[M-2H]-	258.778	30932474
DeepCCS	[M+Na]+	233.926	30932474
AllCCS	[M+H]+	235.6	32859911
AllCCS	[M+H-H2O]+	234.4	32859911
AllCCS	[M+NH4]+	236.6	32859911
AllCCS	[M+Na]+	236.9	32859911
AllCCS	[M-H]-	231.6	32859911
AllCCS	[M+Na-2H]-	234.1	32859911
AllCCS	[M+HCOO]-	236.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Keioside	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	6179.3	Standard polar	33892256
Keioside	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	5137.0	Standard non polar	33892256
Keioside	COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1	5670.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Keioside,1TMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5498.6	Semi standard non polar	33892256
Keioside,1TMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4981.2	Standard non polar	33892256
Keioside,1TMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5492.2	Semi standard non polar	33892256
Keioside,1TMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4900.5	Standard non polar	33892256
Keioside,1TMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5460.6	Semi standard non polar	33892256
Keioside,1TMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4905.1	Standard non polar	33892256
Keioside,1TMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5481.9	Semi standard non polar	33892256
Keioside,1TMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4909.1	Standard non polar	33892256
Keioside,1TMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5487.9	Semi standard non polar	33892256
Keioside,1TMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4890.6	Standard non polar	33892256
Keioside,1TMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5481.3	Semi standard non polar	33892256
Keioside,1TMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4881.5	Standard non polar	33892256
Keioside,1TMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5508.8	Semi standard non polar	33892256
Keioside,1TMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4890.1	Standard non polar	33892256
Keioside,1TMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5507.0	Semi standard non polar	33892256
Keioside,1TMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4991.6	Standard non polar	33892256
Keioside,1TMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5528.4	Semi standard non polar	33892256
Keioside,1TMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5009.0	Standard non polar	33892256
Keioside,2TMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5381.5	Semi standard non polar	33892256
Keioside,2TMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4975.4	Standard non polar	33892256
Keioside,2TMS,isomer #10	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5343.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #10	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4896.1	Standard non polar	33892256
Keioside,2TMS,isomer #11	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5330.2	Semi standard non polar	33892256
Keioside,2TMS,isomer #11	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4798.9	Standard non polar	33892256
Keioside,2TMS,isomer #12	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5318.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #12	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4823.8	Standard non polar	33892256
Keioside,2TMS,isomer #13	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5339.9	Semi standard non polar	33892256
Keioside,2TMS,isomer #13	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4814.5	Standard non polar	33892256
Keioside,2TMS,isomer #14	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5320.9	Semi standard non polar	33892256
Keioside,2TMS,isomer #14	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4803.8	Standard non polar	33892256
Keioside,2TMS,isomer #15	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5358.5	Semi standard non polar	33892256
Keioside,2TMS,isomer #15	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4820.2	Standard non polar	33892256
Keioside,2TMS,isomer #16	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5301.3	Semi standard non polar	33892256
Keioside,2TMS,isomer #16	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4898.5	Standard non polar	33892256
Keioside,2TMS,isomer #17	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5280.3	Semi standard non polar	33892256
Keioside,2TMS,isomer #17	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4894.6	Standard non polar	33892256
Keioside,2TMS,isomer #18	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5332.8	Semi standard non polar	33892256
Keioside,2TMS,isomer #18	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4817.8	Standard non polar	33892256
Keioside,2TMS,isomer #19	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5295.6	Semi standard non polar	33892256
Keioside,2TMS,isomer #19	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4816.0	Standard non polar	33892256
Keioside,2TMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5366.5	Semi standard non polar	33892256
Keioside,2TMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4969.4	Standard non polar	33892256
Keioside,2TMS,isomer #20	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5269.9	Semi standard non polar	33892256
Keioside,2TMS,isomer #20	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4808.2	Standard non polar	33892256
Keioside,2TMS,isomer #21	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5317.2	Semi standard non polar	33892256
Keioside,2TMS,isomer #21	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4822.1	Standard non polar	33892256
Keioside,2TMS,isomer #22	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5342.6	Semi standard non polar	33892256
Keioside,2TMS,isomer #22	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4906.0	Standard non polar	33892256
Keioside,2TMS,isomer #23	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5324.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #23	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4900.9	Standard non polar	33892256
Keioside,2TMS,isomer #24	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5330.6	Semi standard non polar	33892256
Keioside,2TMS,isomer #24	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4817.8	Standard non polar	33892256
Keioside,2TMS,isomer #25	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5303.5	Semi standard non polar	33892256
Keioside,2TMS,isomer #25	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4807.0	Standard non polar	33892256
Keioside,2TMS,isomer #26	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5350.3	Semi standard non polar	33892256
Keioside,2TMS,isomer #26	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4822.3	Standard non polar	33892256
Keioside,2TMS,isomer #27	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5367.7	Semi standard non polar	33892256
Keioside,2TMS,isomer #27	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4893.6	Standard non polar	33892256
Keioside,2TMS,isomer #28	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5348.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #28	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4889.4	Standard non polar	33892256
Keioside,2TMS,isomer #29	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5359.9	Semi standard non polar	33892256
Keioside,2TMS,isomer #29	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4775.1	Standard non polar	33892256
Keioside,2TMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5362.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4891.2	Standard non polar	33892256
Keioside,2TMS,isomer #30	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5387.1	Semi standard non polar	33892256
Keioside,2TMS,isomer #30	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4810.0	Standard non polar	33892256
Keioside,2TMS,isomer #31	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5347.2	Semi standard non polar	33892256
Keioside,2TMS,isomer #31	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4878.0	Standard non polar	33892256
Keioside,2TMS,isomer #32	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5329.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #32	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4874.5	Standard non polar	33892256
Keioside,2TMS,isomer #33	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5379.2	Semi standard non polar	33892256
Keioside,2TMS,isomer #33	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4769.7	Standard non polar	33892256
Keioside,2TMS,isomer #34	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5390.4	Semi standard non polar	33892256
Keioside,2TMS,isomer #34	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4894.8	Standard non polar	33892256
Keioside,2TMS,isomer #35	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5370.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #35	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4890.5	Standard non polar	33892256
Keioside,2TMS,isomer #36	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5360.9	Semi standard non polar	33892256
Keioside,2TMS,isomer #36	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4972.9	Standard non polar	33892256
Keioside,2TMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5314.3	Semi standard non polar	33892256
Keioside,2TMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4890.7	Standard non polar	33892256
Keioside,2TMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5351.6	Semi standard non polar	33892256
Keioside,2TMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4894.7	Standard non polar	33892256
Keioside,2TMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5363.6	Semi standard non polar	33892256
Keioside,2TMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4882.6	Standard non polar	33892256
Keioside,2TMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5346.4	Semi standard non polar	33892256
Keioside,2TMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4871.2	Standard non polar	33892256
Keioside,2TMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5384.0	Semi standard non polar	33892256
Keioside,2TMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4884.4	Standard non polar	33892256
Keioside,2TMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5362.7	Semi standard non polar	33892256
Keioside,2TMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4899.2	Standard non polar	33892256
Keioside,3TMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5217.8	Semi standard non polar	33892256
Keioside,3TMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4977.8	Standard non polar	33892256
Keioside,3TMS,isomer #10	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5185.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #10	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4900.9	Standard non polar	33892256
Keioside,3TMS,isomer #11	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5218.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #11	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4896.8	Standard non polar	33892256
Keioside,3TMS,isomer #12	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5175.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #12	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4873.5	Standard non polar	33892256
Keioside,3TMS,isomer #13	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5239.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #13	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4897.7	Standard non polar	33892256
Keioside,3TMS,isomer #14	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5188.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #14	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4786.5	Standard non polar	33892256
Keioside,3TMS,isomer #15	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5198.8	Semi standard non polar	33892256
Keioside,3TMS,isomer #15	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4818.7	Standard non polar	33892256
Keioside,3TMS,isomer #16	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5242.5	Semi standard non polar	33892256
Keioside,3TMS,isomer #16	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4805.9	Standard non polar	33892256
Keioside,3TMS,isomer #17	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5204.5	Semi standard non polar	33892256
Keioside,3TMS,isomer #17	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4790.1	Standard non polar	33892256
Keioside,3TMS,isomer #18	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5260.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #18	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4810.9	Standard non polar	33892256
Keioside,3TMS,isomer #19	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5198.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #19	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4797.4	Standard non polar	33892256
Keioside,3TMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5250.7	Semi standard non polar	33892256
Keioside,3TMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4890.8	Standard non polar	33892256
Keioside,3TMS,isomer #20	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5177.0	Semi standard non polar	33892256
Keioside,3TMS,isomer #20	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4806.6	Standard non polar	33892256
Keioside,3TMS,isomer #21	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5133.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #21	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4791.5	Standard non polar	33892256
Keioside,3TMS,isomer #22	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5198.0	Semi standard non polar	33892256
Keioside,3TMS,isomer #22	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4811.9	Standard non polar	33892256
Keioside,3TMS,isomer #23	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5221.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #23	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4812.2	Standard non polar	33892256
Keioside,3TMS,isomer #24	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5180.2	Semi standard non polar	33892256
Keioside,3TMS,isomer #24	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4796.3	Standard non polar	33892256
Keioside,3TMS,isomer #25	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5240.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #25	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4816.2	Standard non polar	33892256
Keioside,3TMS,isomer #26	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5224.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #26	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4773.5	Standard non polar	33892256
Keioside,3TMS,isomer #27	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5272.7	Semi standard non polar	33892256
Keioside,3TMS,isomer #27	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4822.3	Standard non polar	33892256
Keioside,3TMS,isomer #28	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5249.2	Semi standard non polar	33892256
Keioside,3TMS,isomer #28	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4765.9	Standard non polar	33892256
Keioside,3TMS,isomer #29	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5194.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #29	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4888.9	Standard non polar	33892256
Keioside,3TMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5172.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4890.0	Standard non polar	33892256
Keioside,3TMS,isomer #30	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5170.6	Semi standard non polar	33892256
Keioside,3TMS,isomer #30	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4786.9	Standard non polar	33892256
Keioside,3TMS,isomer #31	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5178.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #31	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4819.9	Standard non polar	33892256
Keioside,3TMS,isomer #32	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5226.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #32	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4807.1	Standard non polar	33892256
Keioside,3TMS,isomer #33	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5186.2	Semi standard non polar	33892256
Keioside,3TMS,isomer #33	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4791.4	Standard non polar	33892256
Keioside,3TMS,isomer #34	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5241.5	Semi standard non polar	33892256
Keioside,3TMS,isomer #34	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4811.8	Standard non polar	33892256
Keioside,3TMS,isomer #35	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5129.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #35	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4782.1	Standard non polar	33892256
Keioside,3TMS,isomer #36	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5130.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #36	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4814.0	Standard non polar	33892256
Keioside,3TMS,isomer #37	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5186.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #37	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4802.3	Standard non polar	33892256
Keioside,3TMS,isomer #38	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5148.2	Semi standard non polar	33892256
Keioside,3TMS,isomer #38	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4785.8	Standard non polar	33892256
Keioside,3TMS,isomer #39	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5205.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #39	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4807.1	Standard non polar	33892256
Keioside,3TMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5226.0	Semi standard non polar	33892256
Keioside,3TMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4901.0	Standard non polar	33892256
Keioside,3TMS,isomer #40	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5174.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #40	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4728.1	Standard non polar	33892256
Keioside,3TMS,isomer #41	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5166.2	Semi standard non polar	33892256
Keioside,3TMS,isomer #41	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4715.9	Standard non polar	33892256
Keioside,3TMS,isomer #42	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5131.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #42	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4703.2	Standard non polar	33892256
Keioside,3TMS,isomer #43	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5185.5	Semi standard non polar	33892256
Keioside,3TMS,isomer #43	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4722.6	Standard non polar	33892256
Keioside,3TMS,isomer #44	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5178.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #44	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4744.0	Standard non polar	33892256
Keioside,3TMS,isomer #45	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5141.0	Semi standard non polar	33892256
Keioside,3TMS,isomer #45	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4727.9	Standard non polar	33892256
Keioside,3TMS,isomer #46	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5194.6	Semi standard non polar	33892256
Keioside,3TMS,isomer #46	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4751.6	Standard non polar	33892256
Keioside,3TMS,isomer #47	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5187.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #47	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4701.7	Standard non polar	33892256
Keioside,3TMS,isomer #48	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5245.0	Semi standard non polar	33892256
Keioside,3TMS,isomer #48	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4748.8	Standard non polar	33892256
Keioside,3TMS,isomer #49	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5207.6	Semi standard non polar	33892256
Keioside,3TMS,isomer #49	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4697.4	Standard non polar	33892256
Keioside,3TMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5254.7	Semi standard non polar	33892256
Keioside,3TMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4896.3	Standard non polar	33892256
Keioside,3TMS,isomer #50	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5092.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #50	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4888.3	Standard non polar	33892256
Keioside,3TMS,isomer #51	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5179.2	Semi standard non polar	33892256
Keioside,3TMS,isomer #51	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4799.4	Standard non polar	33892256
Keioside,3TMS,isomer #52	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5153.0	Semi standard non polar	33892256
Keioside,3TMS,isomer #52	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4806.5	Standard non polar	33892256
Keioside,3TMS,isomer #53	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5110.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #53	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4791.8	Standard non polar	33892256
Keioside,3TMS,isomer #54	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5176.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #54	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4811.2	Standard non polar	33892256
Keioside,3TMS,isomer #55	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5129.5	Semi standard non polar	33892256
Keioside,3TMS,isomer #55	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4795.4	Standard non polar	33892256
Keioside,3TMS,isomer #56	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5100.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #56	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4803.0	Standard non polar	33892256
Keioside,3TMS,isomer #57	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5063.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #57	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4787.0	Standard non polar	33892256
Keioside,3TMS,isomer #58	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5129.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #58	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4807.8	Standard non polar	33892256
Keioside,3TMS,isomer #59	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5178.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #59	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4719.0	Standard non polar	33892256
Keioside,3TMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5214.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4875.1	Standard non polar	33892256
Keioside,3TMS,isomer #60	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5135.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #60	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4705.4	Standard non polar	33892256
Keioside,3TMS,isomer #61	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5194.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #61	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4726.1	Standard non polar	33892256
Keioside,3TMS,isomer #62	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5131.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #62	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4703.1	Standard non polar	33892256
Keioside,3TMS,isomer #63	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5187.8	Semi standard non polar	33892256
Keioside,3TMS,isomer #63	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4748.6	Standard non polar	33892256
Keioside,3TMS,isomer #64	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5152.5	Semi standard non polar	33892256
Keioside,3TMS,isomer #64	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4698.9	Standard non polar	33892256
Keioside,3TMS,isomer #65	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5153.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #65	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4898.7	Standard non polar	33892256
Keioside,3TMS,isomer #66	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5202.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #66	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4813.8	Standard non polar	33892256
Keioside,3TMS,isomer #67	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5159.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #67	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4797.9	Standard non polar	33892256
Keioside,3TMS,isomer #68	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5224.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #68	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4817.1	Standard non polar	33892256
Keioside,3TMS,isomer #69	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5156.4	Semi standard non polar	33892256
Keioside,3TMS,isomer #69	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4810.3	Standard non polar	33892256
Keioside,3TMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5274.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4896.8	Standard non polar	33892256
Keioside,3TMS,isomer #70	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5114.5	Semi standard non polar	33892256
Keioside,3TMS,isomer #70	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4792.6	Standard non polar	33892256
Keioside,3TMS,isomer #71	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5183.0	Semi standard non polar	33892256
Keioside,3TMS,isomer #71	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4813.8	Standard non polar	33892256
Keioside,3TMS,isomer #72	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5172.7	Semi standard non polar	33892256
Keioside,3TMS,isomer #72	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4704.2	Standard non polar	33892256
Keioside,3TMS,isomer #73	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5224.2	Semi standard non polar	33892256
Keioside,3TMS,isomer #73	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4752.5	Standard non polar	33892256
Keioside,3TMS,isomer #74	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5191.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #74	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4699.3	Standard non polar	33892256
Keioside,3TMS,isomer #75	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5199.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #75	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4894.4	Standard non polar	33892256
Keioside,3TMS,isomer #76	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5207.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #76	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4772.7	Standard non polar	33892256
Keioside,3TMS,isomer #77	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5256.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #77	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4822.2	Standard non polar	33892256
Keioside,3TMS,isomer #78	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5174.3	Semi standard non polar	33892256
Keioside,3TMS,isomer #78	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4767.8	Standard non polar	33892256
Keioside,3TMS,isomer #79	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5226.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #79	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4817.6	Standard non polar	33892256
Keioside,3TMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5212.7	Semi standard non polar	33892256
Keioside,3TMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4890.1	Standard non polar	33892256
Keioside,3TMS,isomer #80	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5289.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #80	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4704.6	Standard non polar	33892256
Keioside,3TMS,isomer #81	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5157.6	Semi standard non polar	33892256
Keioside,3TMS,isomer #81	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4872.5	Standard non polar	33892256
Keioside,3TMS,isomer #82	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5229.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #82	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4765.2	Standard non polar	33892256
Keioside,3TMS,isomer #83	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5194.9	Semi standard non polar	33892256
Keioside,3TMS,isomer #83	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	4759.3	Standard non polar	33892256
Keioside,3TMS,isomer #84	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5222.6	Semi standard non polar	33892256
Keioside,3TMS,isomer #84	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4894.9	Standard non polar	33892256
Keioside,3TMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5124.1	Semi standard non polar	33892256
Keioside,3TMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4889.9	Standard non polar	33892256
Keioside,1TBDMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5689.5	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5216.5	Standard non polar	33892256
Keioside,1TBDMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5738.8	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5123.7	Standard non polar	33892256
Keioside,1TBDMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5701.4	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5125.6	Standard non polar	33892256
Keioside,1TBDMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5717.6	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5131.4	Standard non polar	33892256
Keioside,1TBDMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5725.9	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5113.5	Standard non polar	33892256
Keioside,1TBDMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5723.3	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5100.8	Standard non polar	33892256
Keioside,1TBDMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5746.4	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5115.5	Standard non polar	33892256
Keioside,1TBDMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5693.1	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5220.6	Standard non polar	33892256
Keioside,1TBDMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5712.0	Semi standard non polar	33892256
Keioside,1TBDMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5222.1	Standard non polar	33892256
Keioside,2TBDMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5752.6	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #1	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5397.2	Standard non polar	33892256
Keioside,2TBDMS,isomer #10	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5728.2	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #10	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5298.6	Standard non polar	33892256
Keioside,2TBDMS,isomer #11	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5706.3	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #11	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5185.0	Standard non polar	33892256
Keioside,2TBDMS,isomer #12	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5700.7	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #12	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5209.3	Standard non polar	33892256
Keioside,2TBDMS,isomer #13	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5731.7	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #13	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5199.0	Standard non polar	33892256
Keioside,2TBDMS,isomer #14	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5731.8	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #14	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5186.5	Standard non polar	33892256
Keioside,2TBDMS,isomer #15	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5748.6	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #15	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5209.1	Standard non polar	33892256
Keioside,2TBDMS,isomer #16	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5692.2	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #16	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5295.0	Standard non polar	33892256
Keioside,2TBDMS,isomer #17	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5669.7	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #17	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5296.9	Standard non polar	33892256
Keioside,2TBDMS,isomer #18	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5692.0	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #19	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5676.5	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #19	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5197.4	Standard non polar	33892256
Keioside,2TBDMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5733.2	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #2	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5398.7	Standard non polar	33892256
Keioside,2TBDMS,isomer #20	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5676.9	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #20	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5184.6	Standard non polar	33892256
Keioside,2TBDMS,isomer #21	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5693.7	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #21	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5208.3	Standard non polar	33892256
Keioside,2TBDMS,isomer #22	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5700.6	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #22	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5304.7	Standard non polar	33892256
Keioside,2TBDMS,isomer #23	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5679.4	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #23	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5306.4	Standard non polar	33892256
Keioside,2TBDMS,isomer #24	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5688.6	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #24	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5205.3	Standard non polar	33892256
Keioside,2TBDMS,isomer #25	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5685.5	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #25	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5190.2	Standard non polar	33892256
Keioside,2TBDMS,isomer #26	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5708.7	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #26	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5213.5	Standard non polar	33892256
Keioside,2TBDMS,isomer #27	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5745.3	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #27	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5297.1	Standard non polar	33892256
Keioside,2TBDMS,isomer #28	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5725.3	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #28	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5299.4	Standard non polar	33892256
Keioside,2TBDMS,isomer #29	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5745.1	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #29	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5166.5	Standard non polar	33892256
Keioside,2TBDMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5745.9	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #3	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5294.1	Standard non polar	33892256
Keioside,2TBDMS,isomer #30	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5770.9	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #30	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5208.6	Standard non polar	33892256
Keioside,2TBDMS,isomer #31	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5748.5	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #31	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5278.6	Standard non polar	33892256
Keioside,2TBDMS,isomer #32	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5728.2	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #32	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5278.6	Standard non polar	33892256
Keioside,2TBDMS,isomer #33	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5755.5	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #33	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5162.8	Standard non polar	33892256
Keioside,2TBDMS,isomer #34	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5761.4	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #34	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5303.5	Standard non polar	33892256
Keioside,2TBDMS,isomer #35	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5739.9	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #35	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5304.6	Standard non polar	33892256
Keioside,2TBDMS,isomer #36	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5744.8	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #36	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5391.0	Standard non polar	33892256
Keioside,2TBDMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5687.0	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #4	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5290.9	Standard non polar	33892256
Keioside,2TBDMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5702.3	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #5	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5300.2	Standard non polar	33892256
Keioside,2TBDMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5734.8	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #6	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5292.4	Standard non polar	33892256
Keioside,2TBDMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5735.2	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #7	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5274.1	Standard non polar	33892256
Keioside,2TBDMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5757.4	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #8	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5298.0	Standard non polar	33892256
Keioside,2TBDMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5748.4	Semi standard non polar	33892256
Keioside,2TBDMS,isomer #9	COC1=CC(C2=C(OC3OC(COC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5298.1	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Keioside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9542236000-0438f068d50075091603	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Keioside GC-MS (1 TMS) - 70eV, Positive	splash10-004i-7331019000-0a3f45d39fe3080111a4	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Keioside GC-MS (TBDMS_2_18) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Keioside GC-MS ("Keioside,2TBDMS,#18" TMS) - 70eV, Positive	Not Available	2021-11-02	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-02t9-0019000000-e8e426dac271faf27f43	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-03xr-0019000000-719d7f96b22e7236e5e9	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-0fka-0092000000-7605fe1d4a040021ec4b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00di-0016009000-3c4c976d7938ff8203fc	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-014i-0009000000-d919d5efef5999236571	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00di-0000009000-e67bd87209fccbc5e051	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00di-0000009000-68d3c46750925b5b7d2b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-014i-0009000000-3e6de85ad24de2ebb869	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-014i-0009000000-0c0bfe43e97a2362078d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00di-0000009000-8d6074cfb27ab5f2da57	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Negative-QTOF	splash10-00xr-0019008000-5704371f3f208e86c0b8	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-014i-0009000000-e82e61e016d26fcab65c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-0fka-0093000000-333a0be170b6dda06a0c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00di-0000009000-c8d456d6932dcfba3dd3	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00xr-0019008000-03edd8ddaa6d61052e39	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-014i-0009000000-03dcfebe539494edbfdd	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-006t-0092000000-932ea96a9753e12eda69	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00di-0018009000-b96c6e7a07093f3489c6	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Keioside 6V, Positive-QTOF	splash10-00xr-0019007000-f97d9a66608e523ab4fe	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Keioside 10V, Positive-QTOF	splash10-066r-0109107000-b30d927892aca0fb550a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Keioside 20V, Positive-QTOF	splash10-014i-0239100000-f9b0160f8a7a142a8f67	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Keioside 40V, Positive-QTOF	splash10-0gb9-1739000000-47b96cd1ad2517360123	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Keioside 10V, Negative-QTOF	splash10-00xr-3426219000-0225922a3a383b5bffd3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Keioside 20V, Negative-QTOF	splash10-014j-4679103000-ec04233ecd8d70169df6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Keioside 40V, Negative-QTOF	splash10-014j-3496000000-05974f183fbec130ed4f	2016-08-03	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000609

KNApSAcK ID

C00005538

Chemspider ID

4851695

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6223069

PDB ID

Not Available

ChEBI ID

139417

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1486731

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Keioside (HMDB0037746)

MOL for HMDB0037746 (Keioside)

3D MOL for HMDB0037746 (Keioside)

3D SDF for HMDB0037746 (Keioside)

3D-SDF for HMDB0037746 (Keioside)

PDB for HMDB0037746 (Keioside)

3D PDB for HMDB0037746 (Keioside)

SMILES for HMDB0037746 (Keioside)

INCHI for HMDB0037746 (Keioside)

Structure for HMDB0037746 (Keioside)

3D Structure for HMDB0037746 (Keioside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra