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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:31:48 UTC

Update Date

2022-03-07 02:56:05 UTC

HMDB ID

HMDB0039161

Secondary Accession Numbers

HMDB39161

Metabolite Identification

Common Name

Syndesine

Description

Syndesine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Based on a literature review very few articles have been published on Syndesine.

Structure

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

HMDB0039161
     RDKit          3D
Syndesine
 44 43  0  0  0  0  0  0  0  0999 V2000
    5.6782    1.1111   -2.2265 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7110    0.4726   -1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207    1.4875   -0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    0.9256    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    0.0691   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    0.7750   -1.3147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -0.4113    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    0.1484    0.8967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -0.3475    1.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1142   -1.3206    1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9477   -1.7426    2.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932   -0.7174    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308    0.4709    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.1810   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1004    2.2989    0.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4733    0.3453   -1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6818    0.6680   -0.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1937   -0.8083   -1.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525   -0.4859   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295   -1.2364    0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8490   -0.6226   -0.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3702    0.3697   -2.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    1.3822   -3.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0332   -0.1220   -1.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    2.1933   -1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    2.0621    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706    1.7570    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4017    0.3193    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   -0.7674   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    1.7647   -1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688   -1.2923    1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652   -0.9364    2.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068    0.4733    2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300   -2.2101    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968   -0.9669    2.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.5031   -0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796   -1.5281   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2157    0.2006    1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    1.2114    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8258    1.6172   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0314    2.2354    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1388    2.3231    0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6599   -1.6963   -1.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -0.5064    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  6 30  1  0
  7 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 18 43  1  0
 21 44  1  0
M  END


  Mrv0541 05061310532D          

 21 20  0  0  0  0            999 V2000
    6.5408    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6842    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3987    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6842    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039161

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(O)C\N=C\C(O)CCC(N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H23N3O6/c13-9(11(18)19)3-1-7(16)5-15-6-8(17)2-4-10(14)12(20)21/h5,7-10,16-17H,1-4,6,13-14H2,(H,18,19)(H,20,21)/b15-5+

> <INCHI_KEY>
QWGIOMIEVFVREE-PJQLUOCWSA-N

> <FORMULA>
C12H23N3O6

> <MOLECULAR_WEIGHT>
305.3275

> <EXACT_MASS>
305.158685483

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
31.011774692991935

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-6-[(E)-(5-amino-5-carboxy-2-hydroxypentylidene)amino]-5-hydroxyhexanoic acid

> <ALOGPS_LOGP>
-4.05

> <JCHEM_LOGP>
-6.997975083583922

> <ALOGPS_LOGS>
-2.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.1804416180392368

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5797347904238284

> <JCHEM_PKA_STRONGEST_BASIC>
9.524607174647098

> <JCHEM_POLAR_SURFACE_AREA>
179.45999999999998

> <JCHEM_REFRACTIVITY>
72.66149999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-6-[(E)-(5-amino-5-carboxy-2-hydroxypentylidene)amino]-5-hydroxyhexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039161
     RDKit          3D
Syndesine
 44 43  0  0  0  0  0  0  0  0999 V2000
    5.6782    1.1111   -2.2265 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7110    0.4726   -1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207    1.4875   -0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    0.9256    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    0.0691   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    0.7750   -1.3147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -0.4113    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    0.1484    0.8967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -0.3475    1.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1142   -1.3206    1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9477   -1.7426    2.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932   -0.7174    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308    0.4709    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.1810   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1004    2.2989    0.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4733    0.3453   -1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6818    0.6680   -0.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1937   -0.8083   -1.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525   -0.4859   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295   -1.2364    0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8490   -0.6226   -0.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3702    0.3697   -2.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    1.3822   -3.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0332   -0.1220   -1.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    2.1933   -1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    2.0621    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706    1.7570    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4017    0.3193    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   -0.7674   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    1.7647   -1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688   -1.2923    1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652   -0.9364    2.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068    0.4733    2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300   -2.2101    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968   -0.9669    2.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.5031   -0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796   -1.5281   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2157    0.2006    1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    1.2114    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8258    1.6172   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0314    2.2354    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1388    2.3231    0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6599   -1.6963   -1.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -0.5064    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  6 30  1  0
  7 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 18 43  1  0
 21 44  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      12.209   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.207   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.543   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.542   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.875   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.876   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.541   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.877   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.211   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.206   0.770   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      14.877  -1.540   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       1.540  -1.540   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       8.208   0.770   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      10.876   2.310   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.541   2.310   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      17.544   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      16.211   2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.127   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.206   2.310   0.000  0.00  0.00           O+0
CONECT    1    3    7                                                       
CONECT    2    4    8                                                       
CONECT    3    1    9                                                       
CONECT    4    2   10                                                       
CONECT    5    7   15                                                       
CONECT    6    8   15                                                       
CONECT    7    1    5   16                                                  
CONECT    8    2    6   17                                                  
CONECT    9    3   11   13                                                  
CONECT   10    4   12   14                                                  
CONECT   11    9   18   19                                                  
CONECT   12   10   20   21                                                  
CONECT   13    9                                                            
CONECT   14   10                                                            
CONECT   15    5    6                                                       
CONECT   16    7                                                            
CONECT   17    8                                                            
CONECT   18   11                                                            
CONECT   19   11                                                            
CONECT   20   12                                                            
CONECT   21   12                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0039161
HETATM    1  N1  UNL     1       5.678   1.111  -2.226  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.711   0.473  -1.327  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.921   1.487  -0.572  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.905   0.926   0.370  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.884   0.069  -0.357  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.192   0.775  -1.315  1.00  0.00           O  
HETATM    7  C5  UNL     1       0.909  -0.411   0.662  1.00  0.00           C  
HETATM    8  N2  UNL     1      -0.208   0.148   0.897  1.00  0.00           N  
HETATM    9  C6  UNL     1      -1.120  -0.348   1.889  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.114  -1.321   1.299  1.00  0.00           C  
HETATM   11  O2  UNL     1      -2.948  -1.743   2.324  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.893  -0.717   0.147  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.631   0.471   0.660  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.457   1.181  -0.378  1.00  0.00           C  
HETATM   15  N3  UNL     1      -5.100   2.299   0.282  1.00  0.00           N  
HETATM   16  C11 UNL     1      -5.473   0.345  -1.011  1.00  0.00           C  
HETATM   17  O3  UNL     1      -6.682   0.668  -0.913  1.00  0.00           O  
HETATM   18  O4  UNL     1      -5.194  -0.808  -1.732  1.00  0.00           O  
HETATM   19  C12 UNL     1       5.452  -0.486  -0.489  1.00  0.00           C  
HETATM   20  O5  UNL     1       4.929  -1.236   0.371  1.00  0.00           O  
HETATM   21  O6  UNL     1       6.849  -0.623  -0.609  1.00  0.00           O  
HETATM   22  H1  UNL     1       6.370   0.370  -2.469  1.00  0.00           H  
HETATM   23  H2  UNL     1       5.203   1.382  -3.103  1.00  0.00           H  
HETATM   24  H3  UNL     1       4.033  -0.122  -1.983  1.00  0.00           H  
HETATM   25  H4  UNL     1       3.472   2.193  -1.317  1.00  0.00           H  
HETATM   26  H5  UNL     1       4.656   2.062   0.061  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.371   1.757   0.891  1.00  0.00           H  
HETATM   28  H7  UNL     1       3.402   0.319   1.127  1.00  0.00           H  
HETATM   29  H8  UNL     1       2.426  -0.767  -0.841  1.00  0.00           H  
HETATM   30  H9  UNL     1       1.255   1.765  -1.205  1.00  0.00           H  
HETATM   31  H10 UNL     1       1.169  -1.292   1.240  1.00  0.00           H  
HETATM   32  H11 UNL     1      -0.565  -0.936   2.677  1.00  0.00           H  
HETATM   33  H12 UNL     1      -1.607   0.473   2.431  1.00  0.00           H  
HETATM   34  H13 UNL     1      -1.530  -2.210   0.980  1.00  0.00           H  
HETATM   35  H14 UNL     1      -3.097  -0.967   2.949  1.00  0.00           H  
HETATM   36  H15 UNL     1      -2.218  -0.503  -0.687  1.00  0.00           H  
HETATM   37  H16 UNL     1      -3.580  -1.528  -0.206  1.00  0.00           H  
HETATM   38  H17 UNL     1      -4.216   0.201   1.540  1.00  0.00           H  
HETATM   39  H18 UNL     1      -2.862   1.211   1.006  1.00  0.00           H  
HETATM   40  H19 UNL     1      -3.826   1.617  -1.190  1.00  0.00           H  
HETATM   41  H20 UNL     1      -5.031   2.235   1.329  1.00  0.00           H  
HETATM   42  H21 UNL     1      -6.139   2.323   0.070  1.00  0.00           H  
HETATM   43  H22 UNL     1      -5.660  -1.696  -1.539  1.00  0.00           H  
HETATM   44  H23 UNL     1       7.363  -0.506   0.265  1.00  0.00           H  
CONECT    1    2   22   23
CONECT    2    3   19   24
CONECT    3    4   25   26
CONECT    4    5   27   28
CONECT    5    6    7   29
CONECT    6   30
CONECT    7    8    8   31
CONECT    8    9
CONECT    9   10   32   33
CONECT   10   11   12   34
CONECT   11   35
CONECT   12   13   36   37
CONECT   13   14   38   39
CONECT   14   15   16   40
CONECT   15   41   42
CONECT   16   17   17   18
CONECT   18   43
CONECT   19   20   20   21
CONECT   21   44
END

HMDB0039161
     RDKit          3D
Syndesine
 44 43  0  0  0  0  0  0  0  0999 V2000
    5.6782    1.1111   -2.2265 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7110    0.4726   -1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207    1.4875   -0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    0.9256    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    0.0691   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    0.7750   -1.3147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -0.4113    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    0.1484    0.8967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -0.3475    1.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1142   -1.3206    1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9477   -1.7426    2.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932   -0.7174    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308    0.4709    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.1810   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1004    2.2989    0.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4733    0.3453   -1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6818    0.6680   -0.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1937   -0.8083   -1.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525   -0.4859   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295   -1.2364    0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8490   -0.6226   -0.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3702    0.3697   -2.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    1.3822   -3.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0332   -0.1220   -1.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    2.1933   -1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    2.0621    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706    1.7570    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4017    0.3193    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   -0.7674   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    1.7647   -1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688   -1.2923    1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652   -0.9364    2.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068    0.4733    2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300   -2.2101    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968   -0.9669    2.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.5031   -0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796   -1.5281   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2157    0.2006    1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    1.2114    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8258    1.6172   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0314    2.2354    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1388    2.3231    0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6599   -1.6963   -1.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -0.5064    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  6 30  1  0
  7 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 18 43  1  0
 21 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Dehydrodihydroxylysinonorleucine	HMDB
N6-(5-amino-5-Carboxy-2-hydroxypentylidene)-5-hydroxy-L-lysine, 9ci	HMDB
2-Amino-6-[(e)-(5-amino-5-carboxy-2-hydroxypentylidene)amino]-5-hydroxyhexanoate	Generator

Chemical Formula

C₁₂H₂₃N₃O₆

Average Molecular Weight

305.3275

Monoisotopic Molecular Weight

305.158685483

IUPAC Name

2-amino-6-[(E)-(5-amino-5-carboxy-2-hydroxypentylidene)amino]-5-hydroxyhexanoic acid

Traditional Name

2-amino-6-[(E)-(5-amino-5-carboxy-2-hydroxypentylidene)amino]-5-hydroxyhexanoic acid

CAS Registry Number

35761-40-1

SMILES

NC(CCC(O)C\N=C\C(O)CCC(N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C12H23N3O6/c13-9(11(18)19)3-1-7(16)5-15-6-8(17)2-4-10(14)12(20)21/h5,7-10,16-17H,1-4,6,13-14H2,(H,18,19)(H,20,21)/b15-5+

InChI Key

QWGIOMIEVFVREE-PJQLUOCWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Medium-chain fatty acid
Amino fatty acid
Hydroxy fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Amino acid
Secondary alcohol
Shiff base
Aldimine
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Imine
Organic oxide
Organopnictogen compound
Alcohol
Carbonyl group
Organic oxygen compound
Amine
Primary amine
Hydrocarbon derivative
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039161)
Cytoplasm (HMDB: HMDB0039161)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039161)

Source

Exogenous

Exogenous (HMDB: HMDB0039161)

Food

Food (HMDB: HMDB0039161)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039161)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.29 g/L	ALOGPS
logP	-4	ALOGPS
logP	-7	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.58	ChemAxon
pKa (Strongest Basic)	9.52	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	179.46 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	72.66 m³·mol⁻¹	ChemAxon
Polarizability	31.01 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	168.782	30932474
DeepCCS	[M-H]-	166.424	30932474
DeepCCS	[M-2H]-	199.31	30932474
DeepCCS	[M+Na]+	174.875	30932474
AllCCS	[M+H]+	166.4	32859911
AllCCS	[M+H-H2O]+	163.7	32859911
AllCCS	[M+NH4]+	168.9	32859911
AllCCS	[M+Na]+	169.6	32859911
AllCCS	[M-H]-	171.6	32859911
AllCCS	[M+Na-2H]-	171.6	32859911
AllCCS	[M+HCOO]-	171.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Syndesine	NC(CCC(O)C\N=C\C(O)CCC(N)C(O)=O)C(O)=O	3083.4	Standard polar	33892256
Syndesine	NC(CCC(O)C\N=C\C(O)CCC(N)C(O)=O)C(O)=O	2488.1	Standard non polar	33892256
Syndesine	NC(CCC(O)C\N=C\C(O)CCC(N)C(O)=O)C(O)=O	2953.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Syndesine,1TMS,isomer #1	C[Si](C)(C)OC(CCC(N)C(=O)O)C/N=C/C(O)CCC(N)C(=O)O	2817.5	Semi standard non polar	33892256
Syndesine,1TMS,isomer #2	C[Si](C)(C)OC(/C=N/CC(O)CCC(N)C(=O)O)CCC(N)C(=O)O	2846.4	Semi standard non polar	33892256
Syndesine,1TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(N)C(=O)O	2744.4	Semi standard non polar	33892256
Syndesine,1TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(O)CCC(N)C(=O)O	2739.7	Semi standard non polar	33892256
Syndesine,1TMS,isomer #5	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)C(=O)O	2856.3	Semi standard non polar	33892256
Syndesine,1TMS,isomer #6	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)C(=O)O	2857.7	Semi standard non polar	33892256
Syndesine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C	2710.4	Semi standard non polar	33892256
Syndesine,2TMS,isomer #10	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C	2669.6	Semi standard non polar	33892256
Syndesine,2TMS,isomer #11	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C	2795.5	Semi standard non polar	33892256
Syndesine,2TMS,isomer #12	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O	2791.5	Semi standard non polar	33892256
Syndesine,2TMS,isomer #13	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C	2795.9	Semi standard non polar	33892256
Syndesine,2TMS,isomer #14	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O	2788.9	Semi standard non polar	33892256
Syndesine,2TMS,isomer #15	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O	2907.8	Semi standard non polar	33892256
Syndesine,2TMS,isomer #16	C[Si](C)(C)N(C(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	3024.5	Semi standard non polar	33892256
Syndesine,2TMS,isomer #17	C[Si](C)(C)N(C(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	3027.4	Semi standard non polar	33892256
Syndesine,2TMS,isomer #2	C[Si](C)(C)OC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)CCC(N)C(=O)O	2775.0	Semi standard non polar	33892256
Syndesine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C	2714.4	Semi standard non polar	33892256
Syndesine,2TMS,isomer #4	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O	2839.5	Semi standard non polar	33892256
Syndesine,2TMS,isomer #5	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O	2846.1	Semi standard non polar	33892256
Syndesine,2TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C	2725.4	Semi standard non polar	33892256
Syndesine,2TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C	2725.2	Semi standard non polar	33892256
Syndesine,2TMS,isomer #8	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O	2866.3	Semi standard non polar	33892256
Syndesine,2TMS,isomer #9	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O	2863.9	Semi standard non polar	33892256
Syndesine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2687.2	Semi standard non polar	33892256
Syndesine,3TMS,isomer #10	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O	2876.4	Semi standard non polar	33892256
Syndesine,3TMS,isomer #11	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C/N=C/C(O)CCC(N)C(=O)O	2976.3	Semi standard non polar	33892256
Syndesine,3TMS,isomer #12	C[Si](C)(C)OC(CCC(N)C(=O)O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2976.5	Semi standard non polar	33892256
Syndesine,3TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2678.4	Semi standard non polar	33892256
Syndesine,3TMS,isomer #14	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2757.1	Semi standard non polar	33892256
Syndesine,3TMS,isomer #15	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2759.8	Semi standard non polar	33892256
Syndesine,3TMS,isomer #16	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2754.7	Semi standard non polar	33892256
Syndesine,3TMS,isomer #17	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2763.7	Semi standard non polar	33892256
Syndesine,3TMS,isomer #18	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=O)O	2897.9	Semi standard non polar	33892256
Syndesine,3TMS,isomer #19	C[Si](C)(C)OC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)CCC(N)C(=O)O	2988.5	Semi standard non polar	33892256
Syndesine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2655.5	Semi standard non polar	33892256
Syndesine,3TMS,isomer #20	C[Si](C)(C)OC(/C=N/CC(O)CCC(N)C(=O)O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2994.9	Semi standard non polar	33892256
Syndesine,3TMS,isomer #21	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2726.8	Semi standard non polar	33892256
Syndesine,3TMS,isomer #22	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2725.8	Semi standard non polar	33892256
Syndesine,3TMS,isomer #23	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2838.2	Semi standard non polar	33892256
Syndesine,3TMS,isomer #24	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2936.4	Semi standard non polar	33892256
Syndesine,3TMS,isomer #25	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2925.8	Semi standard non polar	33892256
Syndesine,3TMS,isomer #26	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2839.4	Semi standard non polar	33892256
Syndesine,3TMS,isomer #27	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2931.9	Semi standard non polar	33892256
Syndesine,3TMS,isomer #28	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2927.3	Semi standard non polar	33892256
Syndesine,3TMS,isomer #29	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3041.4	Semi standard non polar	33892256
Syndesine,3TMS,isomer #3	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2741.4	Semi standard non polar	33892256
Syndesine,3TMS,isomer #30	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3037.9	Semi standard non polar	33892256
Syndesine,3TMS,isomer #4	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2754.4	Semi standard non polar	33892256
Syndesine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2687.3	Semi standard non polar	33892256
Syndesine,3TMS,isomer #6	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2791.6	Semi standard non polar	33892256
Syndesine,3TMS,isomer #7	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2792.8	Semi standard non polar	33892256
Syndesine,3TMS,isomer #8	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2747.7	Semi standard non polar	33892256
Syndesine,3TMS,isomer #9	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2750.4	Semi standard non polar	33892256
Syndesine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2610.7	Semi standard non polar	33892256
Syndesine,4TMS,isomer #10	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2689.2	Semi standard non polar	33892256
Syndesine,4TMS,isomer #11	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2832.6	Semi standard non polar	33892256
Syndesine,4TMS,isomer #12	C[Si](C)(C)OC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)CCC(N)C(=O)O	2963.3	Semi standard non polar	33892256
Syndesine,4TMS,isomer #13	C[Si](C)(C)OC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2966.0	Semi standard non polar	33892256
Syndesine,4TMS,isomer #14	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2779.5	Semi standard non polar	33892256
Syndesine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2904.1	Semi standard non polar	33892256
Syndesine,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2903.5	Semi standard non polar	33892256
Syndesine,4TMS,isomer #17	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2977.1	Semi standard non polar	33892256
Syndesine,4TMS,isomer #18	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2981.8	Semi standard non polar	33892256
Syndesine,4TMS,isomer #19	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2674.7	Semi standard non polar	33892256
Syndesine,4TMS,isomer #2	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2669.7	Semi standard non polar	33892256
Syndesine,4TMS,isomer #20	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2674.7	Semi standard non polar	33892256
Syndesine,4TMS,isomer #21	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2777.3	Semi standard non polar	33892256
Syndesine,4TMS,isomer #22	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2911.4	Semi standard non polar	33892256
Syndesine,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2908.2	Semi standard non polar	33892256
Syndesine,4TMS,isomer #24	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2774.6	Semi standard non polar	33892256
Syndesine,4TMS,isomer #25	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2917.6	Semi standard non polar	33892256
Syndesine,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2901.2	Semi standard non polar	33892256
Syndesine,4TMS,isomer #27	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2990.6	Semi standard non polar	33892256
Syndesine,4TMS,isomer #28	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2997.7	Semi standard non polar	33892256
Syndesine,4TMS,isomer #29	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2754.0	Semi standard non polar	33892256
Syndesine,4TMS,isomer #3	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2693.1	Semi standard non polar	33892256
Syndesine,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2877.5	Semi standard non polar	33892256
Syndesine,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2876.8	Semi standard non polar	33892256
Syndesine,4TMS,isomer #32	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2940.7	Semi standard non polar	33892256
Syndesine,4TMS,isomer #33	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2947.1	Semi standard non polar	33892256
Syndesine,4TMS,isomer #34	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2941.0	Semi standard non polar	33892256
Syndesine,4TMS,isomer #35	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2949.1	Semi standard non polar	33892256
Syndesine,4TMS,isomer #36	C[Si](C)(C)N(C(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3140.6	Semi standard non polar	33892256
Syndesine,4TMS,isomer #4	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2657.3	Semi standard non polar	33892256
Syndesine,4TMS,isomer #5	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2655.1	Semi standard non polar	33892256
Syndesine,4TMS,isomer #6	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2777.3	Semi standard non polar	33892256
Syndesine,4TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2905.1	Semi standard non polar	33892256
Syndesine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2901.0	Semi standard non polar	33892256
Syndesine,4TMS,isomer #9	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2665.8	Semi standard non polar	33892256
Syndesine,5TMS,isomer #1	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2604.8	Semi standard non polar	33892256
Syndesine,5TMS,isomer #1	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2734.2	Standard non polar	33892256
Syndesine,5TMS,isomer #10	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2907.9	Semi standard non polar	33892256
Syndesine,5TMS,isomer #10	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2855.9	Standard non polar	33892256
Syndesine,5TMS,isomer #11	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2709.0	Semi standard non polar	33892256
Syndesine,5TMS,isomer #11	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2779.8	Standard non polar	33892256
Syndesine,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2876.1	Semi standard non polar	33892256
Syndesine,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2800.9	Standard non polar	33892256
Syndesine,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2866.8	Semi standard non polar	33892256
Syndesine,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2803.1	Standard non polar	33892256
Syndesine,5TMS,isomer #14	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2981.8	Semi standard non polar	33892256
Syndesine,5TMS,isomer #14	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2847.0	Standard non polar	33892256
Syndesine,5TMS,isomer #15	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2980.1	Semi standard non polar	33892256
Syndesine,5TMS,isomer #15	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2847.7	Standard non polar	33892256
Syndesine,5TMS,isomer #16	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2910.9	Semi standard non polar	33892256
Syndesine,5TMS,isomer #16	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2862.1	Standard non polar	33892256
Syndesine,5TMS,isomer #17	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2906.9	Semi standard non polar	33892256
Syndesine,5TMS,isomer #17	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2849.9	Standard non polar	33892256
Syndesine,5TMS,isomer #18	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3113.2	Semi standard non polar	33892256
Syndesine,5TMS,isomer #18	C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2942.5	Standard non polar	33892256
Syndesine,5TMS,isomer #19	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2691.4	Semi standard non polar	33892256
Syndesine,5TMS,isomer #19	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2781.6	Standard non polar	33892256
Syndesine,5TMS,isomer #2	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2604.1	Semi standard non polar	33892256
Syndesine,5TMS,isomer #2	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.5	Standard non polar	33892256
Syndesine,5TMS,isomer #20	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2842.3	Semi standard non polar	33892256
Syndesine,5TMS,isomer #20	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2793.7	Standard non polar	33892256
Syndesine,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2840.2	Semi standard non polar	33892256
Syndesine,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2799.4	Standard non polar	33892256
Syndesine,5TMS,isomer #22	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2907.2	Semi standard non polar	33892256
Syndesine,5TMS,isomer #22	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2843.9	Standard non polar	33892256
Syndesine,5TMS,isomer #23	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2907.3	Semi standard non polar	33892256
Syndesine,5TMS,isomer #23	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2832.3	Standard non polar	33892256
Syndesine,5TMS,isomer #24	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2900.7	Semi standard non polar	33892256
Syndesine,5TMS,isomer #24	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2842.0	Standard non polar	33892256
Syndesine,5TMS,isomer #25	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2908.8	Semi standard non polar	33892256
Syndesine,5TMS,isomer #25	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2833.8	Standard non polar	33892256
Syndesine,5TMS,isomer #26	C[Si](C)(C)OC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3125.7	Semi standard non polar	33892256
Syndesine,5TMS,isomer #26	C[Si](C)(C)OC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2917.9	Standard non polar	33892256
Syndesine,5TMS,isomer #27	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2890.8	Semi standard non polar	33892256
Syndesine,5TMS,isomer #27	C[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2845.2	Standard non polar	33892256
Syndesine,5TMS,isomer #28	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2887.3	Semi standard non polar	33892256
Syndesine,5TMS,isomer #28	C[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2847.6	Standard non polar	33892256
Syndesine,5TMS,isomer #29	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3101.2	Semi standard non polar	33892256
Syndesine,5TMS,isomer #29	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2914.2	Standard non polar	33892256
Syndesine,5TMS,isomer #3	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2712.8	Semi standard non polar	33892256
Syndesine,5TMS,isomer #3	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2780.1	Standard non polar	33892256
Syndesine,5TMS,isomer #30	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3101.0	Semi standard non polar	33892256
Syndesine,5TMS,isomer #30	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2915.2	Standard non polar	33892256
Syndesine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2875.3	Semi standard non polar	33892256
Syndesine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2802.2	Standard non polar	33892256
Syndesine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2864.7	Semi standard non polar	33892256
Syndesine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2803.0	Standard non polar	33892256
Syndesine,5TMS,isomer #6	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2693.5	Semi standard non polar	33892256
Syndesine,5TMS,isomer #6	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2792.0	Standard non polar	33892256
Syndesine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2841.0	Semi standard non polar	33892256
Syndesine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2802.4	Standard non polar	33892256
Syndesine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2843.1	Semi standard non polar	33892256
Syndesine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2811.3	Standard non polar	33892256
Syndesine,5TMS,isomer #9	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2908.7	Semi standard non polar	33892256
Syndesine,5TMS,isomer #9	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2859.4	Standard non polar	33892256
Syndesine,6TMS,isomer #1	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2667.9	Semi standard non polar	33892256
Syndesine,6TMS,isomer #1	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2835.2	Standard non polar	33892256
Syndesine,6TMS,isomer #10	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2880.2	Semi standard non polar	33892256
Syndesine,6TMS,isomer #10	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2881.2	Standard non polar	33892256
Syndesine,6TMS,isomer #11	C[Si](C)(C)OC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3148.6	Semi standard non polar	33892256
Syndesine,6TMS,isomer #11	C[Si](C)(C)OC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2952.3	Standard non polar	33892256
Syndesine,6TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3100.9	Semi standard non polar	33892256
Syndesine,6TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2953.3	Standard non polar	33892256
Syndesine,6TMS,isomer #13	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2851.8	Semi standard non polar	33892256
Syndesine,6TMS,isomer #13	C[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2887.3	Standard non polar	33892256
Syndesine,6TMS,isomer #14	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2852.1	Semi standard non polar	33892256
Syndesine,6TMS,isomer #14	C[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2890.8	Standard non polar	33892256
Syndesine,6TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3100.0	Semi standard non polar	33892256
Syndesine,6TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2948.2	Standard non polar	33892256
Syndesine,6TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3099.0	Semi standard non polar	33892256
Syndesine,6TMS,isomer #16	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2949.2	Standard non polar	33892256
Syndesine,6TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3102.9	Semi standard non polar	33892256
Syndesine,6TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2954.6	Standard non polar	33892256
Syndesine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2801.6	Semi standard non polar	33892256
Syndesine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2844.0	Standard non polar	33892256
Syndesine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2801.7	Semi standard non polar	33892256
Syndesine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2843.8	Standard non polar	33892256
Syndesine,6TMS,isomer #4	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2871.9	Semi standard non polar	33892256
Syndesine,6TMS,isomer #4	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2887.2	Standard non polar	33892256
Syndesine,6TMS,isomer #5	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2880.8	Semi standard non polar	33892256
Syndesine,6TMS,isomer #5	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2881.4	Standard non polar	33892256
Syndesine,6TMS,isomer #6	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2852.5	Semi standard non polar	33892256
Syndesine,6TMS,isomer #6	C[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2888.7	Standard non polar	33892256
Syndesine,6TMS,isomer #7	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2854.5	Semi standard non polar	33892256
Syndesine,6TMS,isomer #7	C[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2894.1	Standard non polar	33892256
Syndesine,6TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3100.4	Semi standard non polar	33892256
Syndesine,6TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2955.7	Standard non polar	33892256
Syndesine,6TMS,isomer #9	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2874.2	Semi standard non polar	33892256
Syndesine,6TMS,isomer #9	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2886.9	Standard non polar	33892256
Syndesine,7TMS,isomer #1	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2823.6	Semi standard non polar	33892256
Syndesine,7TMS,isomer #1	C[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2937.6	Standard non polar	33892256
Syndesine,7TMS,isomer #2	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2824.4	Semi standard non polar	33892256
Syndesine,7TMS,isomer #2	C[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2937.8	Standard non polar	33892256
Syndesine,7TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3112.4	Semi standard non polar	33892256
Syndesine,7TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2988.4	Standard non polar	33892256
Syndesine,7TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3109.3	Semi standard non polar	33892256
Syndesine,7TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2995.8	Standard non polar	33892256
Syndesine,7TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3112.5	Semi standard non polar	33892256
Syndesine,7TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2988.1	Standard non polar	33892256
Syndesine,7TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3105.3	Semi standard non polar	33892256
Syndesine,7TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2996.9	Standard non polar	33892256
Syndesine,8TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3127.3	Semi standard non polar	33892256
Syndesine,8TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3044.3	Standard non polar	33892256
Syndesine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)C/N=C/C(O)CCC(N)C(=O)O	3062.4	Semi standard non polar	33892256
Syndesine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(/C=N/CC(O)CCC(N)C(=O)O)CCC(N)C(=O)O	3091.7	Semi standard non polar	33892256
Syndesine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(N)C(=O)O	3009.3	Semi standard non polar	33892256
Syndesine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(O)CCC(N)C(=O)O	3004.7	Semi standard non polar	33892256
Syndesine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)C(=O)O	3096.0	Semi standard non polar	33892256
Syndesine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)C(=O)O	3097.1	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3180.8	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3130.9	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3259.8	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3252.5	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3256.2	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3250.0	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3353.6	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3402.3	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3405.6	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)CCC(N)C(=O)O	3253.9	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3183.5	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3285.1	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3291.4	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3204.3	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3206.7	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3324.5	Semi standard non polar	33892256
Syndesine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3324.8	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3369.8	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3513.2	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C/N=C/C(O)CCC(N)C(=O)O	3572.1	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3575.5	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3313.6	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3396.4	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3412.1	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3396.4	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3417.2	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3548.7	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCC(N)C(=O)O	3599.6	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3317.2	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(/C=N/CC(O)CCC(N)C(=O)O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3601.8	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3354.1	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3354.3	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3461.8	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3560.4	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3544.8	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3461.4	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(O)CCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3555.6	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3543.9	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3643.8	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3383.6	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3644.2	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3405.4	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3370.7	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3472.8	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3475.2	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3388.9	Semi standard non polar	33892256
Syndesine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3400.5	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3471.7	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3557.9	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3678.2	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CCC(N)C(=O)O	3806.5	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3807.7	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3582.2	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3753.4	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3733.3	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3808.9	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3813.1	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3481.3	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3528.9	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3480.9	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3591.5	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3756.7	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3740.6	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3591.7	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(/C=N/CC(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3758.4	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3737.8	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3826.6	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3830.7	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3544.8	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3560.8	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3711.3	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3708.0	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3762.8	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3782.1	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3763.8	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3778.1	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N(C(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3943.4	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3498.0	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3493.0	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3583.6	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(C/N=C/C(O)CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3747.6	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3735.4	Semi standard non polar	33892256
Syndesine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3528.3	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3626.8	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3556.7	Standard non polar	33892256
Syndesine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3955.6	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3661.5	Standard non polar	33892256
Syndesine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3691.5	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3575.0	Standard non polar	33892256
Syndesine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3954.6	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(/C=N/CC(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3607.7	Standard non polar	33892256
Syndesine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3940.5	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3604.7	Standard non polar	33892256
Syndesine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4009.4	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3620.9	Standard non polar	33892256
Syndesine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4010.4	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3620.4	Standard non polar	33892256
Syndesine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3928.6	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3651.7	Standard non polar	33892256
Syndesine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3953.8	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3656.1	Standard non polar	33892256
Syndesine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4129.6	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3689.0	Standard non polar	33892256
Syndesine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3645.7	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3599.9	Standard non polar	33892256
Syndesine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3626.6	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3556.4	Standard non polar	33892256
Syndesine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3895.5	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3624.4	Standard non polar	33892256
Syndesine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3896.3	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3629.8	Standard non polar	33892256
Syndesine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3929.4	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3643.6	Standard non polar	33892256
Syndesine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3954.4	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3648.6	Standard non polar	33892256
Syndesine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3927.2	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3641.6	Standard non polar	33892256
Syndesine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3953.0	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3653.1	Standard non polar	33892256
Syndesine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4150.0	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3682.1	Standard non polar	33892256
Syndesine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3913.1	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCC(O)C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3680.0	Standard non polar	33892256
Syndesine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3913.1	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3681.0	Standard non polar	33892256
Syndesine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4122.6	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)/C=N/CC(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3716.8	Standard non polar	33892256
Syndesine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3694.9	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(/C=N/CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3575.1	Standard non polar	33892256
Syndesine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4122.3	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(O)C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3717.5	Standard non polar	33892256
Syndesine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3953.2	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(C/N=C/C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3608.5	Standard non polar	33892256
Syndesine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3940.3	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3604.6	Standard non polar	33892256
Syndesine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3658.1	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(O)/C=N/CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3607.4	Standard non polar	33892256
Syndesine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3906.4	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(C/N=C/C(O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3632.6	Standard non polar	33892256
Syndesine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3902.5	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)/C=N/CC(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3639.3	Standard non polar	33892256
Syndesine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3926.7	Semi standard non polar	33892256
Syndesine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(C/N=C/C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3649.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Syndesine GC-MS (Non-derivatized) - 70eV, Positive	splash10-001u-6980000000-ce25a8d01fde23ca6334	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Syndesine GC-MS (4 TMS) - 70eV, Positive	splash10-00dl-9064040000-ff6fd41950cec3f5a31b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Syndesine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 10V, Positive-QTOF	splash10-06yc-0191000000-54632360f85e62882d14	2016-06-20	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 20V, Positive-QTOF	splash10-01ox-0290000000-0f9f6b2d403e35bcb3b1	2016-06-20	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 40V, Positive-QTOF	splash10-0006-2930000000-7f33cc4492864ca334e7	2016-06-20	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 10V, Negative-QTOF	splash10-0udi-0349000000-b66d9a4485a94dad743b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 20V, Negative-QTOF	splash10-0w2l-1984000000-0c7c66ac0a826f8d7421	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 40V, Negative-QTOF	splash10-00dl-5900000000-ff09f0ed9348ccf0db1a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 10V, Negative-QTOF	splash10-000i-0090000000-f29bae062dfe2a97c731	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 20V, Negative-QTOF	splash10-0f79-1592000000-5a120c1b971d7f4a0419	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 40V, Negative-QTOF	splash10-0729-7900000000-e54abb06faea5020cacf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 10V, Positive-QTOF	splash10-0a4r-0189000000-cd603af066dc0957fce1	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 20V, Positive-QTOF	splash10-052r-0791000000-3165d3aaeee1b10c515a	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Syndesine 40V, Positive-QTOF	splash10-0ug0-3910000000-de5b4c585d42e36542c1	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018686

KNApSAcK ID

Not Available

Chemspider ID

35014757

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

172532

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Syndesine (HMDB0039161)

MOL for HMDB0039161 (Syndesine)

3D MOL for HMDB0039161 (Syndesine)

3D SDF for HMDB0039161 (Syndesine)

3D-SDF for HMDB0039161 (Syndesine)

PDB for HMDB0039161 (Syndesine)

3D PDB for HMDB0039161 (Syndesine)

SMILES for HMDB0039161 (Syndesine)

INCHI for HMDB0039161 (Syndesine)

Structure for HMDB0039161 (Syndesine)

3D Structure for HMDB0039161 (Syndesine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra