Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2009-04-06 16:20:51 UTC

Update Date

2021-09-14 15:29:57 UTC

HMDB ID

HMDB0012197

Secondary Accession Numbers

HMDB12197

Metabolite Identification

Common Name

Canavaninosuccinate

Description

Canavaninosuccinate is formed from ureidohomoserine and aspartate by a human or bovine liver extract that had high argininosuccinate synthetase (EC 6.3.4.5) activity, and the subsequent formation of guanidinosuccinate is done by reductive cleavage. In the presence of ATP the optimum pH for the synthetic reaction is 8.4. This reaction can be carried out in either a tris(hydroxymethyl)aminomethane or borate buffer. Subsequent addition of dithiothreitol in the presence of Fe2+ resulted in the cleavage of some of the synthesized canavaninosuccinate to form guanidinosuccinate and homoserine. Synthesis of canavaninosuccinate was strongly inhibited by added argininosuccinate, less so by canavaninosuccinate, arginine, canavanine, glycine, or 2,3-dimercaptopropanol. All the reactions, starting with canavaninosuccinate and down to the formation of guanidinoacetate and guanidinosuccinate have been demonstrated in human tissue ( (PMID: 241511 ).

Structure

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

HMDB0012197
     RDKit          3D
Canavaninosuccinate
 36 35  0  0  0  0  0  0  0  0999 V2000
   -1.5250    1.6451   -1.0358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534    0.4955   -0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2921    0.2105   -1.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    0.4504   -0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231   -0.6711   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846   -0.4867    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1681    0.6730    0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737    1.9220    0.3647 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790    0.3826   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822    1.1707   -1.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5578   -0.8175   -0.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508   -0.4846   -0.1473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1435   -0.9170   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031    0.2580   -0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    0.8020    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5990    0.0498    1.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9896    2.1485    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6699   -2.0502    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9523   -2.4575    1.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -2.6764   -0.0525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    2.3783   -1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829   -0.1987   -2.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212   -1.5157    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863   -0.9474   -1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8888   -1.4157    0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228   -0.4102    1.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    0.7386    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1492    2.6962    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    2.1762   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937   -1.4691   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4745   -0.9324    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -1.2609   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -0.0911   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    1.0025   -1.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917    2.3683    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6398   -2.7659    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 11 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 17 35  1  0
 20 36  1  0
M  END


  Mrv0541 02241203492D          

 20 19  0  0  0  0            999 V2000
    6.8071   -5.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5215   -4.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361   -6.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926   -4.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9505   -6.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5215   -6.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -5.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9505   -7.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650   -5.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926   -4.1555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3795   -4.9805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650   -6.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9505   -4.9805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5215   -7.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8071   -6.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6636   -4.9805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -6.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650   -7.8680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361   -7.8680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361   -5.3930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012197

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)

> <INCHI_KEY>
SGYMGUGIGTWWLU-UHFFFAOYSA-N

> <FORMULA>
C9H16N4O7

> <MOLECULAR_WEIGHT>
292.2459

> <EXACT_MASS>
292.101898886

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
26.744557922026736

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[3-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid

> <ALOGPS_LOGP>
-3.34

> <JCHEM_LOGP>
-6.1310713132245755

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.0414124792542925

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8968638446408148

> <JCHEM_PKA_STRONGEST_BASIC>
10.328879085982145

> <JCHEM_POLAR_SURFACE_AREA>
195.05999999999997

> <JCHEM_REFRACTIVITY>
82.63209999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.17e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[3-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012197
     RDKit          3D
Canavaninosuccinate
 36 35  0  0  0  0  0  0  0  0999 V2000
   -1.5250    1.6451   -1.0358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534    0.4955   -0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2921    0.2105   -1.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    0.4504   -0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231   -0.6711   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846   -0.4867    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1681    0.6730    0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737    1.9220    0.3647 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790    0.3826   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822    1.1707   -1.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5578   -0.8175   -0.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508   -0.4846   -0.1473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1435   -0.9170   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031    0.2580   -0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    0.8020    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5990    0.0498    1.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9896    2.1485    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6699   -2.0502    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9523   -2.4575    1.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -2.6764   -0.0525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    2.3783   -1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829   -0.1987   -2.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212   -1.5157    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863   -0.9474   -1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8888   -1.4157    0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228   -0.4102    1.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    0.7386    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1492    2.6962    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    2.1762   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937   -1.4691   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4745   -0.9324    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -1.2609   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -0.0911   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    1.0025   -1.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917    2.3683    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6398   -2.7659    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 11 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 17 35  1  0
 20 36  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      12.707 -10.067   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.040  -9.297   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.374 -11.607   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.373  -9.297   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.708 -12.377   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.040 -12.377   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.039 -10.067   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.708 -13.917   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      18.041 -10.067   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      11.373  -7.757   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      19.375  -9.297   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      18.041 -11.607   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      16.708  -9.297   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      14.040 -13.917   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      12.707 -11.607   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       8.705  -9.297   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      10.039 -11.607   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      18.041 -14.687   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      15.374 -14.687   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      15.374 -10.067   0.000  0.00  0.00           O+0
CONECT    1    4    2                                                       
CONECT    2    1   20                                                       
CONECT    3    5    6                                                       
CONECT    4    1   10    7                                                  
CONECT    5    3   12    8                                                  
CONECT    6    3   14   15                                                  
CONECT    7    4   16   17                                                  
CONECT    8    5   18   19                                                  
CONECT    9   13   11   12                                                  
CONECT   10    4                                                            
CONECT   11    9                                                            
CONECT   12    5    9                                                       
CONECT   13    9   20                                                       
CONECT   14    6                                                            
CONECT   15    6                                                            
CONECT   16    7                                                            
CONECT   17    7                                                            
CONECT   18    8                                                            
CONECT   19    8                                                            
CONECT   20    2   13                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0012197
HETATM    1  N1  UNL     1      -1.525   1.645  -1.036  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.053   0.495  -0.760  1.00  0.00           C  
HETATM    3  N2  UNL     1       0.292   0.211  -1.078  1.00  0.00           N  
HETATM    4  O1  UNL     1       1.305   0.450  -0.216  1.00  0.00           O  
HETATM    5  C2  UNL     1       2.123  -0.671  -0.175  1.00  0.00           C  
HETATM    6  C3  UNL     1       3.285  -0.487   0.773  1.00  0.00           C  
HETATM    7  C4  UNL     1       4.168   0.673   0.387  1.00  0.00           C  
HETATM    8  N3  UNL     1       3.474   1.922   0.365  1.00  0.00           N  
HETATM    9  C5  UNL     1       4.879   0.383  -0.894  1.00  0.00           C  
HETATM   10  O2  UNL     1       4.882   1.171  -1.857  1.00  0.00           O  
HETATM   11  O3  UNL     1       5.558  -0.818  -0.993  1.00  0.00           O  
HETATM   12  N4  UNL     1      -1.851  -0.485  -0.147  1.00  0.00           N  
HETATM   13  C6  UNL     1      -3.144  -0.917  -0.628  1.00  0.00           C  
HETATM   14  C7  UNL     1      -4.103   0.258  -0.622  1.00  0.00           C  
HETATM   15  C8  UNL     1      -4.249   0.802   0.771  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.599   0.050   1.713  1.00  0.00           O  
HETATM   17  O5  UNL     1      -3.990   2.148   1.014  1.00  0.00           O  
HETATM   18  C9  UNL     1      -3.670  -2.050   0.175  1.00  0.00           C  
HETATM   19  O6  UNL     1      -2.952  -2.458   1.143  1.00  0.00           O  
HETATM   20  O7  UNL     1      -4.860  -2.676  -0.052  1.00  0.00           O  
HETATM   21  H1  UNL     1      -0.940   2.378  -1.490  1.00  0.00           H  
HETATM   22  H2  UNL     1       0.483  -0.199  -2.016  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.521  -1.516   0.225  1.00  0.00           H  
HETATM   24  H4  UNL     1       2.486  -0.947  -1.172  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.889  -1.416   0.732  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.923  -0.410   1.815  1.00  0.00           H  
HETATM   27  H7  UNL     1       4.955   0.739   1.172  1.00  0.00           H  
HETATM   28  H8  UNL     1       4.149   2.696   0.613  1.00  0.00           H  
HETATM   29  H9  UNL     1       3.133   2.176  -0.595  1.00  0.00           H  
HETATM   30  H10 UNL     1       5.694  -1.469  -0.234  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.474  -0.932   0.729  1.00  0.00           H  
HETATM   32  H12 UNL     1      -3.086  -1.261  -1.682  1.00  0.00           H  
HETATM   33  H13 UNL     1      -5.133  -0.091  -0.933  1.00  0.00           H  
HETATM   34  H14 UNL     1      -3.737   1.002  -1.342  1.00  0.00           H  
HETATM   35  H15 UNL     1      -3.192   2.368   1.624  1.00  0.00           H  
HETATM   36  H16 UNL     1      -5.640  -2.766   0.593  1.00  0.00           H  
CONECT    1    2    2   21
CONECT    2    3   12
CONECT    3    4   22
CONECT    4    5
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8    9   27
CONECT    8   28   29
CONECT    9   10   10   11
CONECT   11   30
CONECT   12   13   31
CONECT   13   14   18   32
CONECT   14   15   33   34
CONECT   15   16   16   17
CONECT   17   35
CONECT   18   19   19   20
CONECT   20   36
END

HMDB0012197
     RDKit          3D
Canavaninosuccinate
 36 35  0  0  0  0  0  0  0  0999 V2000
   -1.5250    1.6451   -1.0358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534    0.4955   -0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2921    0.2105   -1.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    0.4504   -0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231   -0.6711   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846   -0.4867    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1681    0.6730    0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737    1.9220    0.3647 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790    0.3826   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822    1.1707   -1.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5578   -0.8175   -0.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508   -0.4846   -0.1473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1435   -0.9170   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031    0.2580   -0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    0.8020    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5990    0.0498    1.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9896    2.1485    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6699   -2.0502    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9523   -2.4575    1.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -2.6764   -0.0525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    2.3783   -1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829   -0.1987   -2.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212   -1.5157    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863   -0.9474   -1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8888   -1.4157    0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228   -0.4102    1.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    0.7386    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1492    2.6962    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    2.1762   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937   -1.4691   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4745   -0.9324    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -1.2609   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -0.0911   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    1.0025   -1.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917    2.3683    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6398   -2.7659    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 11 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 17 35  1  0
 20 36  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Canavaninosuccinic acid	Generator
2-[N'-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioate	Generator, HMDB

Chemical Formula

C₉H₁₆N₄O₇

Average Molecular Weight

292.2459

Monoisotopic Molecular Weight

292.101898886

IUPAC Name

2-[3-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid

Traditional Name

2-[3-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid

CAS Registry Number

56073-32-6

SMILES

NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)

InChI Key

SGYMGUGIGTWWLU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Aspartic acid and derivatives

Alternative Parents

Substituents

Aspartic acid or derivatives
Alpha-amino acid
Tricarboxylic acid or derivatives
Guanidine
Amino acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Carboxylic acid
Organic nitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Organopnictogen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Urine (HMDB: HMDB0012197)

Excreta

Biofluid or Excreta

Urine (PMID: 22624806)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0012197)

Source

Endogenous

Endogenous (HMDB: HMDB0012197)

Plant

Animal

Animal (HMDB: HMDB0012197)

Exogenous

Food

Food (HMDB: HMDB0012197)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

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	0.62 g/L	ALOGPS
logP	-3.3	ALOGPS
logP	-6.1	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	1.9	ChemAxon
pKa (Strongest Basic)	10.33	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	195.06 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	82.63 m³·mol⁻¹	ChemAxon
Polarizability	26.74 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
DarkChem	[M+H]+	169.095	31661259
DarkChem	[M-H]-	162.835	31661259
DeepCCS	[M+H]+	163.107	30932474
DeepCCS	[M-H]-	160.749	30932474
DeepCCS	[M-2H]-	193.635	30932474
DeepCCS	[M+Na]+	169.2	30932474
AllCCS	[M+H]+	162.0	32859911
AllCCS	[M+H-H2O]+	159.1	32859911
AllCCS	[M+NH4]+	164.6	32859911
AllCCS	[M+Na]+	165.4	32859911
AllCCS	[M-H]-	162.9	32859911
AllCCS	[M+Na-2H]-	163.2	32859911
AllCCS	[M+HCOO]-	163.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Canavaninosuccinate	NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O	4077.5	Standard polar	33892256
Canavaninosuccinate	NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O	2334.3	Standard non polar	33892256
Canavaninosuccinate	NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O	2971.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Canavaninosuccinate,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O)C(=O)O	2801.2	Semi standard non polar	33892256
Canavaninosuccinate,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(N)C(=O)O	2808.8	Semi standard non polar	33892256
Canavaninosuccinate,1TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCONC(=N)NC(CC(=O)O)C(=O)O	2781.6	Semi standard non polar	33892256
Canavaninosuccinate,1TMS,isomer #4	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O)C(=O)O	2877.6	Semi standard non polar	33892256
Canavaninosuccinate,1TMS,isomer #5	C[Si](C)(C)N(OCCC(N)C(=O)O)C(=N)NC(CC(=O)O)C(=O)O	2846.5	Semi standard non polar	33892256
Canavaninosuccinate,1TMS,isomer #6	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O)C(=O)O	2786.3	Semi standard non polar	33892256
Canavaninosuccinate,1TMS,isomer #7	C[Si](C)(C)N(C(=N)NOCCC(N)C(=O)O)C(CC(=O)O)C(=O)O	2856.3	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	2761.7	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #10	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2753.2	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #11	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C	2832.4	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #12	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	2853.0	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C	2802.5	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #14	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)NC(CC(=O)O)C(=O)O	2748.7	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2805.0	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #16	C[Si](C)(C)N(C(CCONC(=N)NC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	3016.7	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #17	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	2906.1	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #18	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)NC(CC(=O)O)C(=O)O	2848.6	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #19	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	2921.5	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #2	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	2762.8	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #20	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N)C(=O)O)[Si](C)(C)C	2783.2	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #21	C[Si](C)(C)N(OCCC(N)C(=O)O)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2842.0	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #22	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2762.6	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #3	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	2862.2	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(N)C(=O)O)[Si](C)(C)C	2799.1	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #5	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2730.5	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #6	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C)C(=O)O	2816.8	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCONC(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2780.2	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #8	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	2881.9	Semi standard non polar	33892256
Canavaninosuccinate,2TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(N)C(=O)O)[Si](C)(C)C	2806.1	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #1	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2732.6	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #10	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2973.2	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #11	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	2848.3	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #12	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2795.2	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #13	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	2832.1	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #14	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2698.3	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #15	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2782.4	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #16	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N)C(=O)O)[Si](C)(C)C	2727.0	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #17	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2822.6	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #18	C[Si](C)(C)OC(=O)C(N)CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2772.2	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #19	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2736.1	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #2	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2803.8	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #20	C[Si](C)(C)OC(=O)C(N)CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2770.2	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #21	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2993.3	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #22	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2864.1	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #23	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2818.4	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #24	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2849.2	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #25	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2714.1	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #26	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2803.2	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #27	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C	2742.3	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #28	C[Si](C)(C)OC(=O)C(CCONC(=N)NC(CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2969.7	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #29	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2835.5	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2737.3	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #30	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O)C(=O)O	2801.7	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #31	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2837.5	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #32	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2743.7	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #33	C[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2791.0	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #34	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2733.2	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #35	C[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)NC(CC(=O)O)C(=O)O	3019.6	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #36	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O	2971.5	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #37	C[Si](C)(C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)O)C(=O)O	3015.0	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #38	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2811.6	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #39	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2879.5	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #4	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2711.1	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #40	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2803.8	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #41	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2784.1	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2751.0	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #6	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2816.4	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(N)C(=O)O)[Si](C)(C)C	2742.3	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #8	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2685.8	Semi standard non polar	33892256
Canavaninosuccinate,3TMS,isomer #9	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2761.0	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #1	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2759.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #1	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2502.5	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #1	C[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4386.0	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2735.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2646.5	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4547.9	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #11	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2689.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #11	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2405.7	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #11	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4565.0	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2929.8	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2574.7	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4449.7	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #13	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2782.2	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #13	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2587.0	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #13	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4324.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #14	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2737.7	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #14	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2425.2	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #14	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4453.2	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #15	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2764.9	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #15	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2595.3	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #15	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4280.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #16	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2654.6	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #16	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2431.9	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #16	C[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4680.3	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #17	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2734.0	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #17	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2662.1	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #17	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4705.3	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #18	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C	2677.0	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #18	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C	2401.4	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #18	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C	4684.5	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #19	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2960.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #19	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2688.5	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #19	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4339.3	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2701.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2548.2	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4584.5	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #20	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2937.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #20	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2525.3	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #20	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	4486.8	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #21	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2978.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #21	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2692.6	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #21	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4361.8	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #22	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2754.2	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #22	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2460.5	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #22	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4370.7	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #23	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2800.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #23	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2704.4	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #23	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4302.3	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #24	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2735.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #24	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2484.2	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #24	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4309.6	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #25	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2722.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #25	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2572.1	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #25	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4511.9	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2933.5	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2551.8	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4380.8	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #27	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2801.6	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #27	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2572.9	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #27	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4223.8	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #28	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2765.8	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #28	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2424.0	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #28	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	4362.9	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #29	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2793.7	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #29	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2579.4	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #29	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4190.8	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #3	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2671.9	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #3	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2406.0	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #3	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4689.9	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #30	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2693.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #30	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2379.7	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #30	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4503.8	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2768.3	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2627.0	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4518.6	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #32	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2683.6	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #32	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2412.0	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #32	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4503.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #33	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2973.9	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #33	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2669.1	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #33	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4306.4	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #34	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2957.5	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #34	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2528.6	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #34	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	4453.4	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #35	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2998.8	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #35	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2667.8	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #35	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4341.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #36	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2773.7	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #36	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2438.5	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #36	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4308.2	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #37	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2822.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #37	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2685.4	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #37	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4261.7	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #38	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2755.5	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #38	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2471.2	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #38	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4272.6	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #39	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2737.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #39	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2552.9	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #39	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4463.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2702.5	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2540.1	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4605.0	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #40	C[Si](C)(C)OC(=O)C(CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2973.2	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #40	C[Si](C)(C)OC(=O)C(CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2661.1	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #40	C[Si](C)(C)OC(=O)C(CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4279.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #41	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O	2940.8	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #41	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O	2504.0	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #41	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O	4407.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #42	C[Si](C)(C)OC(=O)C(CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2973.6	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #42	C[Si](C)(C)OC(=O)C(CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2652.9	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #42	C[Si](C)(C)OC(=O)C(CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4268.4	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #43	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2778.7	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #43	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2448.1	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #43	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4250.4	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #44	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2825.0	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #44	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2680.6	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #44	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4185.6	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #45	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2770.8	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #45	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2469.2	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #45	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	4201.7	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #46	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2754.7	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #46	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2546.5	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #46	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	4312.9	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #47	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2959.6	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #47	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2568.3	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #47	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4389.3	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #48	C[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2994.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #48	C[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2777.7	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #48	C[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	4341.6	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #49	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2943.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #49	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2582.4	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #49	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	4336.1	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2918.8	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2567.9	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4352.0	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #50	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2810.0	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #50	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2628.3	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #50	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	4112.7	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #6	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2779.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #6	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2594.3	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #6	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4225.7	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #7	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2749.6	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #7	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2421.6	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #7	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	4378.9	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #8	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2762.4	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #8	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2594.6	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #8	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4215.7	Standard polar	33892256
Canavaninosuccinate,4TMS,isomer #9	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2669.8	Semi standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #9	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2424.6	Standard non polar	33892256
Canavaninosuccinate,4TMS,isomer #9	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4533.3	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2854.2	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2585.7	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4049.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2904.5	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2688.1	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3957.1	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #11	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2729.6	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #11	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2450.0	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #11	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3909.9	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #12	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2762.5	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #12	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2706.0	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #12	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3848.0	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #13	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2712.0	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #13	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2482.6	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #13	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3874.9	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #14	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2682.5	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #14	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2556.8	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #14	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4078.2	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2902.9	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2692.4	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3978.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #16	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2877.9	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #16	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2527.5	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #16	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4134.5	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2919.1	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2687.1	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4013.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #18	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2714.6	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #18	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2459.5	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #18	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3958.0	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #19	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2757.7	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #19	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2708.9	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #19	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3909.5	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #2	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2744.6	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #2	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2611.6	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #2	C[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3859.2	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #20	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2689.5	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #20	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2488.9	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #20	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3930.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #21	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2658.1	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #21	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2568.4	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #21	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4203.2	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #22	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2915.4	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #22	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2572.5	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #22	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4027.2	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #23	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2968.4	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #23	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2801.4	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #23	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4026.9	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #24	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2937.4	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #24	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2548.9	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #24	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4070.9	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #25	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2771.4	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #25	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2624.8	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #25	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3776.9	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #26	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2911.2	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #26	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2672.6	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #26	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3931.5	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #27	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2885.6	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #27	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	2505.1	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #27	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C	4082.7	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #28	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2919.6	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #28	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2671.8	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #28	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3956.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #29	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2736.9	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #29	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2442.9	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #29	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3865.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #3	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2706.0	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #3	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2452.6	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #3	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4013.2	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #30	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2787.9	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #30	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2699.0	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #30	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3816.3	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #31	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2723.4	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #31	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2481.0	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #31	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3845.7	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #32	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2698.0	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #32	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2544.2	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #32	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4038.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #33	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2923.4	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #33	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2565.1	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #33	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3995.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #34	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2977.3	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #34	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2788.8	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #34	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3991.5	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #35	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2951.5	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #35	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2543.7	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #35	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4017.8	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #36	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2780.0	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #36	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2617.1	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #36	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3730.0	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #37	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2938.7	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #37	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2524.0	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #37	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3999.9	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #38	C[Si](C)(C)OC(=O)C(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2978.4	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #38	C[Si](C)(C)OC(=O)C(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2775.6	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #38	C[Si](C)(C)OC(=O)C(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3959.7	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #39	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2929.7	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #39	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2543.9	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #39	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	3966.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #4	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2736.7	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #4	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2620.3	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #4	C[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3829.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #40	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2788.8	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #40	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2612.1	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #40	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	3673.3	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #41	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2966.8	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #41	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2717.3	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #41	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	3841.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #5	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2635.1	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #5	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2448.8	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #5	C[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4288.9	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2704.9	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2658.0	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4293.4	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #7	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2647.6	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #7	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2416.7	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #7	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4293.1	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2898.3	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2682.6	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3953.6	Standard polar	33892256
Canavaninosuccinate,5TMS,isomer #9	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2871.0	Semi standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #9	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	2491.1	Standard non polar	33892256
Canavaninosuccinate,5TMS,isomer #9	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O	4095.9	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2867.3	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2714.6	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3637.2	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #10	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2872.8	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #10	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2544.2	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #10	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3711.4	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #11	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2721.1	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #11	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2632.4	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #11	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3395.1	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #12	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2857.1	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #12	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2589.1	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #12	C[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3704.9	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #13	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2929.1	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #13	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2817.3	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #13	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3687.2	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #14	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2892.0	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #14	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2570.3	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #14	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3726.4	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #15	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2704.5	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #15	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2642.1	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #15	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3434.7	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #16	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2942.7	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #16	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2723.1	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #16	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3575.7	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #17	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2856.6	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #17	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2564.4	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #17	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3656.8	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2937.2	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2801.9	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3635.3	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #19	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2880.5	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #19	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2541.9	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #19	C[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3674.4	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #2	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2821.6	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #2	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2538.6	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #2	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3798.7	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #20	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2728.7	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #20	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2627.0	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #20	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3352.9	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #21	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2946.7	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #21	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2718.1	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #21	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3527.8	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #22	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2949.6	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #22	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	2696.7	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #22	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C	3509.3	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #3	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2886.3	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #3	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2713.6	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #3	C[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3663.5	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #4	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2694.7	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #4	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2492.3	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #4	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3563.6	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #5	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2757.9	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #5	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2735.4	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #5	C[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3498.9	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #6	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2684.3	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #6	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2526.2	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #6	C[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3547.2	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #7	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2628.3	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #7	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2586.1	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #7	C[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3855.8	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #8	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2858.6	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #8	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2562.5	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #8	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3687.2	Standard polar	33892256
Canavaninosuccinate,6TMS,isomer #9	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2934.8	Semi standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #9	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2807.4	Standard non polar	33892256
Canavaninosuccinate,6TMS,isomer #9	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3665.8	Standard polar	33892256
Canavaninosuccinate,7TMS,isomer #1	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2855.1	Semi standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #1	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2621.6	Standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #1	C[Si](C)(C)N=C(NOCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3389.5	Standard polar	33892256
Canavaninosuccinate,7TMS,isomer #2	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2937.5	Semi standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #2	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2841.4	Standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #2	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=N)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3374.8	Standard polar	33892256
Canavaninosuccinate,7TMS,isomer #3	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2883.3	Semi standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #3	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2594.2	Standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #3	C[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3409.1	Standard polar	33892256
Canavaninosuccinate,7TMS,isomer #4	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2700.1	Semi standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #4	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2681.1	Standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #4	C[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3118.6	Standard polar	33892256
Canavaninosuccinate,7TMS,isomer #5	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2910.8	Semi standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #5	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2733.8	Standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #5	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3270.2	Standard polar	33892256
Canavaninosuccinate,7TMS,isomer #6	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2905.9	Semi standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #6	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2753.0	Standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #6	C[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3274.9	Standard polar	33892256
Canavaninosuccinate,7TMS,isomer #7	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2904.6	Semi standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #7	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2729.8	Standard non polar	33892256
Canavaninosuccinate,7TMS,isomer #7	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3231.8	Standard polar	33892256
Canavaninosuccinate,8TMS,isomer #1	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2919.5	Semi standard non polar	33892256
Canavaninosuccinate,8TMS,isomer #1	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2786.6	Standard non polar	33892256
Canavaninosuccinate,8TMS,isomer #1	C[Si](C)(C)N=C(N(OCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3077.6	Standard polar	33892256
Canavaninosuccinate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O)C(=O)O	3067.0	Semi standard non polar	33892256
Canavaninosuccinate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(N)C(=O)O	3072.5	Semi standard non polar	33892256
Canavaninosuccinate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCONC(=N)NC(CC(=O)O)C(=O)O	3039.3	Semi standard non polar	33892256
Canavaninosuccinate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O)C(=O)O	3101.2	Semi standard non polar	33892256
Canavaninosuccinate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(OCCC(N)C(=O)O)C(=N)NC(CC(=O)O)C(=O)O	3075.2	Semi standard non polar	33892256
Canavaninosuccinate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O)C(=O)O	3034.6	Semi standard non polar	33892256
Canavaninosuccinate,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=N)NOCCC(N)C(=O)O)C(CC(=O)O)C(=O)O	3102.7	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3254.5	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3233.5	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3293.4	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3286.2	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3255.7	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O	3210.9	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3250.6	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CCONC(=N)NC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3415.6	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3346.6	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)NC(CC(=O)O)C(=O)O	3291.5	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3345.6	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3274.9	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3237.1	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(OCCC(N)C(=O)O)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3272.4	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3212.9	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3319.7	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3282.8	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3230.2	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3294.6	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCONC(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3254.2	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3324.3	Semi standard non polar	33892256
Canavaninosuccinate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3265.0	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3412.5	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3593.8	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3525.8	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3479.0	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3504.4	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3389.0	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3458.2	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3416.0	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3475.9	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3430.4	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3404.9	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3483.1	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3421.2	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3594.2	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3523.2	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3482.8	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3500.2	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3391.0	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3461.5	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3422.0	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(CCONC(=N)NC(CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3580.5	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3487.1	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3423.3	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O	3447.7	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3476.6	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3402.6	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3435.0	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3380.7	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)NC(CC(=O)O)C(=O)O	3610.8	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O	3578.6	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(=O)O)C(=O)O	3594.5	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3474.2	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3509.4	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3401.2	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3454.1	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3400.8	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3432.3	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3503.6	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NOCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3429.3	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3398.5	Semi standard non polar	33892256
Canavaninosuccinate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3448.0	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[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	3626.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[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	3161.3	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCONC(=N)NC(CC(=O)O[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	4206.2	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3615.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3310.4	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4377.8	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3561.1	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3004.7	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4380.6	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	3773.4	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	3211.0	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	4282.5	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3645.2	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3242.0	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4191.8	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3611.0	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2998.0	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4239.8	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3637.7	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3252.4	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4171.5	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3533.9	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3041.8	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4470.5	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3620.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3334.1	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4478.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3555.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2997.3	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	4466.4	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3783.6	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3283.8	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4225.9	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3565.4	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3234.2	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4417.1	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3774.6	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3068.4	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4275.9	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3805.4	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3295.3	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4226.9	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3610.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3022.1	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4191.6	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3674.4	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3328.5	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4192.8	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3603.9	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3039.0	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4171.5	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3580.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3170.2	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4354.2	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(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	3773.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(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	3204.3	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)NOCCC(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	4243.1	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3629.2	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3226.6	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4122.4	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3598.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3001.1	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4174.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3625.1	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3232.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4109.0	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3552.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2995.7	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4469.1	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3567.2	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2992.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4347.1	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3624.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3303.7	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4356.8	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3548.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3029.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4350.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3787.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3279.6	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4205.3	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3779.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3076.5	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4264.2	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3808.8	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3275.4	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4223.0	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3627.9	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3016.2	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4154.1	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3682.4	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3325.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4169.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3615.7	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3053.0	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4146.2	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3588.9	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3178.5	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4325.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3582.6	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3226.0	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4425.3	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C(CCON(C(=N)NC(CC(=O)O)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	3793.6	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C(CCON(C(=N)NC(CC(=O)O)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	3286.5	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C(CCON(C(=N)NC(CC(=O)O)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	4176.3	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O)C(=O)O	3771.2	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O)C(=O)O	3071.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O)C(=O)O	4227.4	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C(CCONC(=N)N(C(CC(=O)O)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	3778.0	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C(CCONC(=N)N(C(CC(=O)O)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	3270.3	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C(CCONC(=N)N(C(CC(=O)O)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	4182.3	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3608.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3022.1	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4113.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3663.9	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3308.3	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4117.0	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3602.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3029.6	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4101.3	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3587.1	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3147.7	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4234.2	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3773.1	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3108.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4216.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3793.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3357.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4225.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3751.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3113.5	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4198.5	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	3763.3	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	3223.1	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	4210.8	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3645.9	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3183.9	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4055.7	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[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	3621.5	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[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	3245.2	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[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	4122.5	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3587.0	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2992.2	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4183.4	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[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	3613.6	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[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	3237.0	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[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	4129.1	Standard polar	33892256
Canavaninosuccinate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3542.9	Semi standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3021.2	Standard non polar	33892256
Canavaninosuccinate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4373.2	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	3932.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	3373.6	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)NOCCC(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	4084.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(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)[Si](C)(C)C(C)(C)C)C(=O)O	3970.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(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)[Si](C)(C)C(C)(C)C)C(=O)O	3458.7	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(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)[Si](C)(C)C(C)(C)C)C(=O)O	4007.2	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3724.2	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3168.5	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3959.2	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3813.3	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3474.8	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3946.2	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3720.3	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3189.9	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3950.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3751.2	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3306.3	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4140.2	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3954.5	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3457.6	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4033.6	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3945.2	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3215.8	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4100.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3977.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3447.7	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4050.8	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3736.1	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3173.8	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3989.8	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3823.1	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3487.5	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3983.5	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3765.9	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3394.6	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3974.4	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3729.9	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3212.2	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3980.5	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3742.5	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3326.7	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4214.4	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3940.9	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3260.2	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4042.8	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3988.1	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3534.5	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4042.2	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3958.1	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3242.6	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4054.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3800.9	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3330.8	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3907.0	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(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)[Si](C)(C)C(C)(C)C	3953.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(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)[Si](C)(C)C(C)(C)C	3449.0	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)NOCCC(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)[Si](C)(C)C(C)(C)C	4001.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3947.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3217.8	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4067.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(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)[Si](C)(C)C(C)(C)C	3978.3	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(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)[Si](C)(C)C(C)(C)C	3442.9	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=N)N(OCCC(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)[Si](C)(C)C(C)(C)C	4015.1	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3730.1	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3167.6	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3932.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3744.5	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3152.4	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4031.8	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3821.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3478.5	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCON(C(=N)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3925.7	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3728.5	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3206.2	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C(NOCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3926.0	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3752.4	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3311.7	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4112.7	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3951.4	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3276.6	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(NOCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4016.9	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3995.1	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3537.3	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=N)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4019.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3969.9	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3242.2	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4023.5	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3808.6	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3339.3	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3875.0	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(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)[Si](C)(C)C(C)(C)C	3965.1	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(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)[Si](C)(C)C(C)(C)C	3243.6	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O)C(=O)O)N(OCCC(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)[Si](C)(C)C(C)(C)C	4004.8	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[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	3991.5	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[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	3529.3	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(CCON(C(=N)N(C(CC(=O)O)C(=O)O)[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	3995.5	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3946.7	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3253.8	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3998.5	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3737.4	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3408.2	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCONC(=N)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3958.8	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3795.4	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3320.8	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(N(OCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3840.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3971.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3389.2	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(OCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3941.1	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.8	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3189.4	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NOCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4245.3	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3767.9	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3468.5	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4240.7	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.6	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3140.4	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(OCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4244.5	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(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)[Si](C)(C)C(C)(C)C	3946.7	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(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)[Si](C)(C)C(C)(C)C	3449.0	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=N)NOCCC(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)[Si](C)(C)C(C)(C)C	4018.6	Standard polar	33892256
Canavaninosuccinate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3936.2	Semi standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3206.9	Standard non polar	33892256
Canavaninosuccinate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCCC(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)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4072.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Canavaninosuccinate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f6w-7390000000-298f023d33a76d4a5920	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Canavaninosuccinate GC-MS (3 TMS) - 70eV, Positive	splash10-0006-6203900000-5c88f219591d48415908	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Canavaninosuccinate 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 - Canavaninosuccinate 10V, Negative-QTOF	splash10-007p-1970000000-b5fd2f62bc0ab84e571e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 20V, Negative-QTOF	splash10-00c0-2900000000-7f5e5ccd7e3708acbe41	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 40V, Negative-QTOF	splash10-0adl-9600000000-dfd0944b8c755104ffee	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 10V, Negative-QTOF	splash10-05i0-0790000000-56820fdda8c026aaa44b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 20V, Negative-QTOF	splash10-00ai-1910000000-60b39397b86e48510476	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 40V, Negative-QTOF	splash10-0006-9400000000-afdb6cfe77ba8bef941a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 10V, Positive-QTOF	splash10-056s-2390000000-fa1aee0fffe153c2a117	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 20V, Positive-QTOF	splash10-0zfr-8890000000-622e7bf062e59c220aec	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 40V, Positive-QTOF	splash10-0pdi-8910000000-9d6217950ba3f6b7edf4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 10V, Positive-QTOF	splash10-0006-0190000000-cbe820cc7d8b859f41ef	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 20V, Positive-QTOF	splash10-056u-0970000000-d65054602c8903e0b1f4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavaninosuccinate 40V, Positive-QTOF	splash10-00e9-7920000000-b000329a143ca962f14b	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	22624806	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Not Available	22624806	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028845

KNApSAcK ID

Not Available

Chemspider ID

35032414

KEGG Compound ID

Not Available

BioCyc ID

CANAVANINOSUCCINATE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25201068

PDB ID

Not Available

ChEBI ID

89639

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

Koller A, Aldwin L, Natelson S: Hepatic synthesis of canavaninosuccinate from ureidohomoserine and aspartate, and its conversion to guanidinosuccinate. Clin Chem. 1975 Nov;21(12):1777-82. [PubMed:241511 ]

Enzymes

Enzyme Details

1. Argininosuccinate synthase

General function:: Involved in argininosuccinate synthase activity
Specific function:: Not Available
Gene Name:: ASS1
Uniprot ID:: P00966
Molecular weight:: 46530.055

Enzyme Details

2. Argininosuccinate lyase

General function:: Involved in argininosuccinate lyase activity
Specific function:: Not Available
Gene Name:: ASL
Uniprot ID:: P04424
Molecular weight:: 51657.505

Showing metabocard for Canavaninosuccinate (HMDB0012197)

MOL for HMDB0012197 (Canavaninosuccinate)

3D MOL for HMDB0012197 (Canavaninosuccinate)

3D SDF for HMDB0012197 (Canavaninosuccinate)

3D-SDF for HMDB0012197 (Canavaninosuccinate)

PDB for HMDB0012197 (Canavaninosuccinate)

3D PDB for HMDB0012197 (Canavaninosuccinate)

SMILES for HMDB0012197 (Canavaninosuccinate)

INCHI for HMDB0012197 (Canavaninosuccinate)

Structure for HMDB0012197 (Canavaninosuccinate)

3D Structure for HMDB0012197 (Canavaninosuccinate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes