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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:36:43 UTC

Update Date

2022-03-07 02:55:43 UTC

HMDB ID

HMDB0038319

Secondary Accession Numbers

HMDB38319

Metabolite Identification

Common Name

Decarbamoylsaxitoxin

Description

Decarbamoylsaxitoxin belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton. Based on a literature review very few articles have been published on Decarbamoylsaxitoxin.

Structure

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

HMDB0038319
     RDKit          3D
Decarbamoylsaxitoxin
 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0338    3.5083    1.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    2.3090    1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    1.8532   -0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866    0.4448    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796   -0.4571   -0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851   -0.2754   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188   -1.2280   -1.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -1.8331   -0.3204 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -2.0725    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.2007    1.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9137   -1.1005    0.6169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243   -1.1223    0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8272    0.0369   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278    0.6578   -0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287    2.0200   -0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -0.0135   -1.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733    0.2572    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    1.1752    1.5223 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    4.2433    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783    2.4957   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016    0.2452    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -0.3641   -1.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2903    0.7559   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439   -0.4842    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2014   -1.8319   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407   -2.5447   -0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -3.9260    1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110   -0.9294    1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129   -2.0659    0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -0.3305   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714    0.8140    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563    2.2673   -1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528   -0.4300   -2.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    1.1261    2.4039 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
  5  8  1  0
  8  9  1  0
  9 10  2  3
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18  2  1  0
 17  4  1  0
 17 11  1  0
  1 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  8 26  1  0
 10 27  1  0
 12 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 15 32  1  0
 16 33  1  0
 18 34  1  0
M  END


  Mrv0541 05061310232D          

 18 20  0  0  0  0            999 V2000
    1.6458   -2.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3102   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.9092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155   -2.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15  2  1  0  0  0  0
 15  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  3  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038319

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)

> <INCHI_KEY>
VRRIYZJUSNMZMP-UHFFFAOYSA-N

> <FORMULA>
C9H16N6O3

> <MOLECULAR_WEIGHT>
256.2617

> <EXACT_MASS>
256.128388408

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
24.220298444270213

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(hydroxymethyl)-2,6-diimino-decahydropyrrolo[1,2-c]purine-10,10-diol

> <ALOGPS_LOGP>
-2.35

> <JCHEM_LOGP>
-2.9511983005444575

> <ALOGPS_LOGS>
-1.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.671168534576932

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.028688115323341

> <JCHEM_PKA_STRONGEST_BASIC>
10.50018506680362

> <JCHEM_POLAR_SURFACE_AREA>
147.72

> <JCHEM_REFRACTIVITY>
80.5942

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.51e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(hydroxymethyl)-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purine-10,10-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038319
     RDKit          3D
Decarbamoylsaxitoxin
 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0338    3.5083    1.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    2.3090    1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    1.8532   -0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866    0.4448    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796   -0.4571   -0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851   -0.2754   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188   -1.2280   -1.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -1.8331   -0.3204 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -2.0725    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.2007    1.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9137   -1.1005    0.6169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243   -1.1223    0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8272    0.0369   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278    0.6578   -0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287    2.0200   -0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -0.0135   -1.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733    0.2572    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    1.1752    1.5223 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    4.2433    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783    2.4957   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016    0.2452    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -0.3641   -1.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2903    0.7559   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439   -0.4842    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2014   -1.8319   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407   -2.5447   -0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -3.9260    1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110   -0.9294    1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129   -2.0659    0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -0.3305   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714    0.8140    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563    2.2673   -1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528   -0.4300   -2.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    1.1261    2.4039 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
  5  8  1  0
  8  9  1  0
  9 10  2  3
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18  2  1  0
 17  4  1  0
 17 11  1  0
  1 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  8 26  1  0
 10 27  1  0
 12 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 15 32  1  0
 16 33  1  0
 18 34  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       3.072  -4.510   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.604  -4.349   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.924   1.777   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.446  -3.103   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.320  -1.303   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       7.591  -2.843   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       6.258  -0.533   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       4.924  -2.843   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0       3.590   2.547   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.976  -3.564   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.896  -4.615   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1   15                                                       
CONECT    3    4   16                                                       
CONECT    4    3    5   12                                                  
CONECT    5    4    9   13                                                  
CONECT    6   10   13   14                                                  
CONECT    7   11   12   15                                                  
CONECT    8    1    9   17   18                                             
CONECT    9    5    8   14   15                                             
CONECT   10    6                                                            
CONECT   11    7                                                            
CONECT   12    4    7                                                       
CONECT   13    5    6                                                       
CONECT   14    6    9                                                       
CONECT   15    2    7    9                                                  
CONECT   16    3                                                            
CONECT   17    8                                                            
CONECT   18    8                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   40    0
END

COMPND    HMDB0038319
HETATM    1  N1  UNL     1       0.034   3.508   1.565  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.067   2.309   1.085  1.00  0.00           C  
HETATM    3  N2  UNL     1       0.917   1.853  -0.018  1.00  0.00           N  
HETATM    4  C2  UNL     1       0.887   0.445   0.143  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.480  -0.457  -0.835  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.985  -0.275  -0.818  1.00  0.00           C  
HETATM    7  O1  UNL     1       3.619  -1.228  -1.635  1.00  0.00           O  
HETATM    8  N3  UNL     1       1.258  -1.833  -0.320  1.00  0.00           N  
HETATM    9  C5  UNL     1       0.094  -2.073   0.509  1.00  0.00           C  
HETATM   10  N4  UNL     1       0.042  -3.201   1.113  1.00  0.00           N  
HETATM   11  N5  UNL     1      -0.914  -1.101   0.617  1.00  0.00           N  
HETATM   12  C6  UNL     1      -2.324  -1.122   0.827  1.00  0.00           C  
HETATM   13  C7  UNL     1      -2.827   0.037  -0.074  1.00  0.00           C  
HETATM   14  C8  UNL     1      -1.528   0.658  -0.641  1.00  0.00           C  
HETATM   15  O2  UNL     1      -1.629   2.020  -0.766  1.00  0.00           O  
HETATM   16  O3  UNL     1      -1.243  -0.013  -1.804  1.00  0.00           O  
HETATM   17  C9  UNL     1      -0.573   0.257   0.461  1.00  0.00           C  
HETATM   18  N6  UNL     1      -0.711   1.175   1.522  1.00  0.00           N  
HETATM   19  H1  UNL     1       0.635   4.243   1.175  1.00  0.00           H  
HETATM   20  H2  UNL     1       1.378   2.496  -0.693  1.00  0.00           H  
HETATM   21  H3  UNL     1       1.402   0.245   1.143  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.079  -0.364  -1.857  1.00  0.00           H  
HETATM   23  H5  UNL     1       3.290   0.756  -1.092  1.00  0.00           H  
HETATM   24  H6  UNL     1       3.344  -0.484   0.221  1.00  0.00           H  
HETATM   25  H7  UNL     1       4.201  -1.832  -1.138  1.00  0.00           H  
HETATM   26  H8  UNL     1       1.941  -2.545  -0.579  1.00  0.00           H  
HETATM   27  H9  UNL     1       0.780  -3.926   1.032  1.00  0.00           H  
HETATM   28  H10 UNL     1      -2.611  -0.929   1.870  1.00  0.00           H  
HETATM   29  H11 UNL     1      -2.813  -2.066   0.524  1.00  0.00           H  
HETATM   30  H12 UNL     1      -3.465  -0.331  -0.875  1.00  0.00           H  
HETATM   31  H13 UNL     1      -3.271   0.814   0.570  1.00  0.00           H  
HETATM   32  H14 UNL     1      -2.256   2.267  -1.462  1.00  0.00           H  
HETATM   33  H15 UNL     1      -2.053  -0.430  -2.174  1.00  0.00           H  
HETATM   34  H16 UNL     1      -1.214   1.126   2.404  1.00  0.00           H  
CONECT    1    2    2   19
CONECT    2    3   18
CONECT    3    4   20
CONECT    4    5   17   21
CONECT    5    6    8   22
CONECT    6    7   23   24
CONECT    7   25
CONECT    8    9   26
CONECT    9   10   10   11
CONECT   10   27
CONECT   11   12   17
CONECT   12   13   28   29
CONECT   13   14   30   31
CONECT   14   15   16   17
CONECT   15   32
CONECT   16   33
CONECT   17   18
CONECT   18   34
END

HMDB0038319
     RDKit          3D
Decarbamoylsaxitoxin
 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0338    3.5083    1.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    2.3090    1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    1.8532   -0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866    0.4448    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796   -0.4571   -0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851   -0.2754   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188   -1.2280   -1.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -1.8331   -0.3204 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -2.0725    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.2007    1.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9137   -1.1005    0.6169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243   -1.1223    0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8272    0.0369   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278    0.6578   -0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287    2.0200   -0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -0.0135   -1.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733    0.2572    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    1.1752    1.5223 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    4.2433    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783    2.4957   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016    0.2452    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -0.3641   -1.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2903    0.7559   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439   -0.4842    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2014   -1.8319   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407   -2.5447   -0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -3.9260    1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110   -0.9294    1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129   -2.0659    0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -0.3305   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714    0.8140    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563    2.2673   -1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528   -0.4300   -2.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    1.1261    2.4039 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
  5  8  1  0
  8  9  1  0
  9 10  2  3
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18  2  1  0
 17  4  1  0
 17 11  1  0
  1 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  8 26  1  0
 10 27  1  0
 12 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 15 32  1  0
 16 33  1  0
 18 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
DCSTX-Saxitoxin	HMDB
Decarbamylsaxitoxin	HMDB

Chemical Formula

C₉H₁₆N₆O₃

Average Molecular Weight

256.2617

Monoisotopic Molecular Weight

256.128388408

IUPAC Name

4-(hydroxymethyl)-2,6-diimino-decahydropyrrolo[1,2-c]purine-10,10-diol

Traditional Name

4-(hydroxymethyl)-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purine-10,10-diol

CAS Registry Number

58911-04-9

SMILES

OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12

InChI Identifier

InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)

InChI Key

VRRIYZJUSNMZMP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Saxitoxins, gonyautoxins, and derivatives

Sub Class

Not Available

Direct Parent

Saxitoxins, gonyautoxins, and derivatives

Alternative Parents

Substituents

Saxitoxin-gonyautoxin skeleton
Imidazopyrimidine
Alkaloid or derivatives
1,3-diazinane
Imidazolidine
Pyrrolidine
Guanidine
Organoheterocyclic compound
Carboximidamide
Carbonyl hydrate
Azacycle
Organopnictogen compound
Primary alcohol
Organooxygen compound
Organonitrogen compound
Imine
Organic oxygen compound
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Source

Exogenous

Exogenous (HMDB: HMDB0038319)

Food

Food (HMDB: HMDB0038319)

Endogenous

Plant

Plant (HMDB: HMDB0038319)

Process

Not Available

Role

Indirect biological role

Marine biotoxin (HMDB: HMDB0038319)

Biological role

Nutrient (HMDB: HMDB0038319)

Environmental role

Environmental contaminant (HMDB: HMDB0038319)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.51 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-3	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	11.03	ChemAxon
pKa (Strongest Basic)	10.5	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	147.72 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	80.59 m³·mol⁻¹	ChemAxon
Polarizability	24.22 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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]+	156.318	31661259
DarkChem	[M-H]-	154.865	31661259
DeepCCS	[M-2H]-	194.201	30932474
DeepCCS	[M+Na]+	169.766	30932474
AllCCS	[M+H]+	157.3	32859911
AllCCS	[M+H-H2O]+	153.6	32859911
AllCCS	[M+NH4]+	160.8	32859911
AllCCS	[M+Na]+	161.8	32859911
AllCCS	[M-H]-	156.4	32859911
AllCCS	[M+Na-2H]-	155.9	32859911
AllCCS	[M+HCOO]-	155.6	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	-0.63 minutes	32390414
Predicted by Siyang on May 30, 2022	10.6613 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.72 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	381.9 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	418.2 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	309.3 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	17.0 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	184.7 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	89.6 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	343.2 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	250.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1007.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	619.8 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	53.9 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	734.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	213.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	349.3 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	925.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	591.0 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	364.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Decarbamoylsaxitoxin	OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12	4949.3	Standard polar	33892256
Decarbamoylsaxitoxin	OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12	2639.2	Standard non polar	33892256
Decarbamoylsaxitoxin	OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12	3195.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Decarbamoylsaxitoxin,1TMS,isomer #1	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23NC(=N)NC13	2985.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TMS,isomer #2	C[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3NC(=N)NC321	3009.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TMS,isomer #3	C[Si](C)(C)N1C(=N)N2CCC(O)(O)C23NC(=N)NC3C1CO	2978.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TMS,isomer #4	C[Si](C)(C)N=C1NC(CO)C2NC(=N)NC23N1CCC3(O)O	2993.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TMS,isomer #5	C[Si](C)(C)N1C(=N)NC2C(CO)NC(=N)N3CCC(O)(O)C231	2980.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TMS,isomer #6	C[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O)C23N1	3041.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TMS,isomer #7	C[Si](C)(C)N1C(=N)NC23C1C(CO)NC(=N)N2CCC3(O)O	2939.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #1	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C)C23NC(=N)NC13	2979.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #10	C[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3N([Si](C)(C)C)C(=N)NC321	2926.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #11	C[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1	3011.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #12	C[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3NC(=N)N([Si](C)(C)C)C321	2975.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #13	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)NC3C(CO)N1[Si](C)(C)C	2898.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #14	C[Si](C)(C)N1C(=N)N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C)C1CO	2902.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #15	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1	2945.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #16	C[Si](C)(C)N1C(=N)N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C)C3C1CO	2860.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #17	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O)O	2857.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #18	C[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C)N3CCC(O)(O)C23N1	2960.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #19	C[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O)O	2898.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #2	C[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O)O)C(=N)N1[Si](C)(C)C	2928.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #20	C[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2894.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #21	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(CO)NC(=N)N2CCC3(O)O	2785.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #22	C[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C	2863.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #3	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)NC23N1CCC3(O)O	2946.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #4	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23C1NC(=N)N3[Si](C)(C)C	2953.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #5	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O)C23N1	2977.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #6	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C)C13	2925.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #7	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)NC(CO)C3NC(=N)NC321	2977.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #8	C[Si](C)(C)N=C1NC(CO)C2NC(=N)NC23N1CCC3(O)O[Si](C)(C)C	2970.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TMS,isomer #9	C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)C(CO)C3NC(=N)NC321	2930.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #1	C[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)NC13	2903.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #10	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)NC3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2848.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #11	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O)O	2821.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #12	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N[Si](C)(C)C)N3CCC(O)(O)C23N1	2878.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #13	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O)O	2839.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #14	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23C1N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2732.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #15	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2841.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #16	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C	2823.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #17	C[Si](C)(C)N=C1NC(CO)C2NC(=N)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2902.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #18	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)C(CO)C3NC(=N)NC321	2858.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #19	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)NC(CO)C3N([Si](C)(C)C)C(=N)NC321	2867.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #2	C[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2865.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #20	C[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2939.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #21	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)NC(CO)C3NC(=N)N([Si](C)(C)C)C321	2934.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #22	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N)NC3C(CO)N1[Si](C)(C)C	2821.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #23	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O)O[Si](C)(C)C	2795.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #24	C[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C)N3CCC(O)(O[Si](C)(C)C)C23N1	2904.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #25	C[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2855.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #26	C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)C(CO)C3N([Si](C)(C)C)C(=N)NC321	2792.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #27	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1	2871.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #28	C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)C(CO)C3NC(=N)N([Si](C)(C)C)C321	2866.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #29	C[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C	2826.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #3	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)NC23N1CCC3(O)O[Si](C)(C)C	2899.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #30	C[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	2751.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #31	C[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2867.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #32	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2762.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #33	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O)(O)C23N1	2827.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #34	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2743.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #35	C[Si](C)(C)N1C(=N)N2CCC(O)(O)C23C(C1CO)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2679.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #36	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2816.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #37	C[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C	2764.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #38	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O)O	2774.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #39	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O)O	2653.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #4	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C)C23C1NC(=N)N3[Si](C)(C)C	2923.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #40	C[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O	2790.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #41	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2689.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #5	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1	2908.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #6	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C13	2878.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #7	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CCC3(O)O)C(=N)N1[Si](C)(C)C	2821.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #8	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1	2880.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TMS,isomer #9	C[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CCC3(O)O)C(=N)N1[Si](C)(C)C	2841.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #1	C[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2815.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #1	C[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2595.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #10	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O)O[Si](C)(C)C	2790.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #10	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O)O[Si](C)(C)C	2669.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #11	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N[Si](C)(C)C)N3CCC(O)(O[Si](C)(C)C)C23N1	2826.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #11	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N[Si](C)(C)C)N3CCC(O)(O[Si](C)(C)C)C23N1	2595.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #12	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2805.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #12	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2677.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #13	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C)C23C1N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2732.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #13	C[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C)C23C1N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2708.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #14	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2816.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #14	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2668.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #15	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C	2794.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #15	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C	2661.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #16	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C	2756.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #16	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C	2785.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #17	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CCC3(O)O)C(=N)N1[Si](C)(C)C	2676.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #17	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CCC3(O)O)C(=N)N1[Si](C)(C)C	2793.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #18	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2734.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #18	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2698.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #19	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O)(O)C23N1	2791.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #19	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O)(O)C23N1	2621.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #2	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2832.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #2	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2532.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #20	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2767.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #20	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2778.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #21	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2745.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #21	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2707.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #22	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O)O	2754.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #22	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O)O	2693.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #23	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O)O	2636.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #23	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O)O	2758.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #24	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O	2755.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #24	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O	2707.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #25	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2648.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #25	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2595.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #26	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)NC3C(CO)N1[Si](C)(C)C	2772.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #26	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)NC3C(CO)N1[Si](C)(C)C	2519.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #27	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2768.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #27	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2622.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #28	C[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2836.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #28	C[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2566.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #29	C[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2807.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #29	C[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2647.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #3	C[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C1NC(=N)N3[Si](C)(C)C	2886.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #3	C[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C1NC(=N)N3[Si](C)(C)C	2631.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #30	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)C(CO)C3N([Si](C)(C)C)C(=N)NC321	2780.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #30	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)C(CO)C3N([Si](C)(C)C)C(=N)NC321	2683.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #31	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2827.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #31	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2640.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #32	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)C(CO)C3NC(=N)N([Si](C)(C)C)C321	2823.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #32	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)C(CO)C3NC(=N)N([Si](C)(C)C)C321	2715.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #33	C[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2799.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #33	C[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2616.6	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #34	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)NC(CO)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	2744.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #34	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)NC(CO)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	2669.6	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #35	C[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2848.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #35	C[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2626.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #36	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2742.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #36	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2672.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #37	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O)(O[Si](C)(C)C)C23N1	2774.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #37	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O)(O[Si](C)(C)C)C23N1	2577.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #38	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2698.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #38	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2652.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #39	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C	2721.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #39	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C	2623.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #4	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2851.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #4	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2574.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #40	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2634.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #40	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2712.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #41	C[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2752.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #41	C[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2660.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #42	C[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C	2735.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #42	C[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C	2713.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #43	C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)C(CO)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	2692.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #43	C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)C(CO)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	2768.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #44	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2777.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #44	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2739.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #45	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2680.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #45	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2560.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #46	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2606.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #46	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2746.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #47	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2686.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #47	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2697.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #48	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2688.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #48	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2675.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #49	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2643.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #49	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2687.6	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #5	C[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C13	2848.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #5	C[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C13	2621.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #50	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O	2575.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #50	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O	2601.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #6	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2799.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #6	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2735.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #7	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1	2832.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #7	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1	2689.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #8	C[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2815.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #8	C[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2749.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #9	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2797.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TMS,isomer #9	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2540.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #1	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2796.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #1	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2751.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #10	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2792.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #10	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2670.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #11	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C	2754.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #11	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C	2772.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #12	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2715.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #12	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2844.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #13	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2736.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #13	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2684.5	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #14	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O)(O[Si](C)(C)C)C23N1	2756.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #14	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O)(O[Si](C)(C)C)C23N1	2601.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #15	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2763.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #15	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2791.3	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #16	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2742.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #16	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2687.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #17	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C	2740.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #17	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C	2684.9	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #18	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2663.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #18	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2770.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #19	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2731.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #19	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2700.6	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #2	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2788.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #2	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2696.9	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #20	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2672.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #20	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2617.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #21	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2651.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #21	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C	2744.4	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #22	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2714.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #22	C[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2714.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #23	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2628.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #23	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2804.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #24	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2689.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #24	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2734.3	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #25	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O	2595.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #25	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O	2651.3	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #26	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2741.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #26	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2675.9	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #27	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2752.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #27	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2592.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #28	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2716.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #28	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2670.9	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #29	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2734.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #29	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2664.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #3	C[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2803.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #3	C[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2767.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #30	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2668.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #30	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2750.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #31	C[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2740.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #31	C[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2687.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #32	C[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2747.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #32	C[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2748.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #33	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)C(CO)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	2728.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #33	C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)C(CO)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	2826.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #34	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2779.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #34	C[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2778.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #35	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2708.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #35	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2584.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #36	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2633.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #36	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2776.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #37	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2679.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #37	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2695.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #38	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2672.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #38	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2680.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #39	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2602.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #39	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2596.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #4	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2756.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #4	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2545.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #40	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2668.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #40	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2726.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #41	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2578.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #41	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2685.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #5	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2784.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #5	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2678.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #6	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2809.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #6	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2601.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #7	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2797.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #7	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2679.3	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #8	C[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C1N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2753.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #8	C[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C1N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2740.3	Standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #9	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2806.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TMS,isomer #9	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2666.1	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #1	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2786.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #1	C[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	2781.5	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #10	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2723.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #10	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2638.6	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #11	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2700.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #11	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2762.4	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #12	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2730.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #12	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2701.9	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #13	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2691.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #13	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2794.3	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #14	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2719.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #14	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2709.4	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #15	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2656.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #15	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O)O[Si](C)(C)C	2639.6	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #16	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2636.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #16	C[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2691.4	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #17	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2692.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #17	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2790.6	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #18	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2724.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #18	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO)N1[Si](C)(C)C	2703.3	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #19	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2713.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #19	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO)N1[Si](C)(C)C	2699.1	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #2	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2774.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #2	C[Si](C)(C)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C	2872.4	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #20	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2669.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #20	C[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2628.6	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #21	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2723.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #21	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2762.7	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #22	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2638.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #22	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2666.1	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #3	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2771.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #3	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2701.4	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #4	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2751.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #4	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	2615.4	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #5	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2787.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #5	C[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2797.4	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #6	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2779.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #6	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2694.3	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #7	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2795.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #7	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2700.2	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #8	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2731.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #8	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2781.2	Standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #9	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2795.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,6TMS,isomer #9	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2708.2	Standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #1	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2777.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #1	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	2795.4	Standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #2	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2792.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #2	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23NC(=N[Si](C)(C)C)N([Si](C)(C)C)C3C(CO[Si](C)(C)C)N1[Si](C)(C)C	2728.9	Standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #3	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2775.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #3	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N)N3[Si](C)(C)C	2805.1	Standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #4	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2785.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #4	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(NC(=N[Si](C)(C)C)N3[Si](C)(C)C)C(CO[Si](C)(C)C)N1[Si](C)(C)C	2721.4	Standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #5	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2730.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #5	C[Si](C)(C)N=C1NC(CO[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C	2671.1	Standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #6	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2710.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #6	C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2687.6	Standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #7	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2712.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,7TMS,isomer #7	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2691.9	Standard non polar	33892256
Decarbamoylsaxitoxin,8TMS,isomer #1	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2805.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,8TMS,isomer #1	C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)C23C(C(CO[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N3[Si](C)(C)C	2726.3	Standard non polar	33892256
Decarbamoylsaxitoxin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23NC(=N)NC13	3214.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3NC(=N)NC321	3239.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)C23NC(=N)NC3C1CO	3200.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N)NC23N1CCC3(O)O	3233.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(=N)NC2C(CO)NC(=N)N3CCC(O)(O)C231	3197.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O)C23N1	3265.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C(=N)NC23C1C(CO)NC(=N)N2CCC3(O)O	3195.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC13	3410.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	3392.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3408.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	3380.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)NC3C(CO)N1[Si](C)(C)C(C)(C)C	3304.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C1CO	3290.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1	3356.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C1CO	3312.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O)O	3356.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O)C23N1	3386.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3307.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C	3378.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3300.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C23C1C(CO)NC(=N)N2CCC3(O)O	3202.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C	3323.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CCC3(O)O	3400.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23C1NC(=N)N3[Si](C)(C)C(C)(C)C	3352.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O)C23N1	3412.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C(C)(C)C)C13	3391.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)NC(CO)C3NC(=N)NC321	3421.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3380.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3NC(=N)NC321	3355.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC13	3534.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)NC3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3488.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O)O	3521.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O)C23N1	3478.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3446.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O)C23C1N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3370.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3442.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C	3501.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3510.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3NC(=N)NC321	3503.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)NC(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	3533.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3530.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3544.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)NC(CO)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	3521.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC3C(CO)N1[Si](C)(C)C(C)(C)C	3451.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3501.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3477.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3457.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	3459.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3482.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	3458.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3500.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3503.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)NC(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	3386.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3463.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3346.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O)C23N1	3407.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3412.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)C23C(C1CO)N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3328.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3394.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C	3418.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O)O	3453.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3321.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C1NC(=N)N3[Si](C)(C)C(C)(C)C	3511.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3381.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3314.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3533.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C13	3545.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C	3509.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1	3505.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C	3458.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3630.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)NC23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3536.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3610.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3606.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3583.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3548.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3572.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3573.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C1N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3518.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C1N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3595.5	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3559.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3523.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3598.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3559.5	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C	3576.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C	3689.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C	3493.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C	3719.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3592.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3638.7	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O)C23N1	3582.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O)C23N1	3573.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3586.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3460.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3543.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3648.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3515.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3606.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O)O	3596.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O)O	3628.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3478.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3699.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3528.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3606.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3452.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3508.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC3C(CO)N1[Si](C)(C)C(C)(C)C	3572.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC3C(CO)N1[Si](C)(C)C(C)(C)C	3414.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3602.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3536.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3580.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3466.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3573.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3518.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23C1NC(=N)N3[Si](C)(C)C(C)(C)C	3612.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23C1NC(=N)N3[Si](C)(C)C(C)(C)C	3502.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	3582.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	3576.5	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3592.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3547.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	3584.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	3568.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3592.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3484.6	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)NC(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	3527.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)NC(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	3542.6	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3573.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3461.5	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3500.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3535.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3550.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3498.7	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3531.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3556.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3576.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3531.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3601.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3490.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3483.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3627.7	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3525.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3526.1	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3539.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3597.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	3493.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	3656.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3546.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3580.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3476.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3433.3	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3439.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3679.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3466.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3582.9	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3526.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3598.5	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3441.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3590.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C13	3629.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C13	3533.7	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3434.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3543.0	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3610.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3650.8	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3622.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3628.4	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3594.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3624.2	Standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3607.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3474.6	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3714.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3816.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3672.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3685.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3679.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3826.4	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3644.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3888.9	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3698.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3765.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3692.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1	3672.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3676.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3801.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3664.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3735.6	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3699.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3719.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3629.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3843.5	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3662.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3691.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3701.0	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3760.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3610.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3658.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3614.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O)C23N1[Si](C)(C)C(C)(C)C	3814.4	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3713.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3777.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3614.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3893.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3647.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(NC(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3765.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3604.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O	3719.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3643.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3693.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3662.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3622.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3660.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3721.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3684.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3658.4	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3705.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C	3795.2	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3626.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3789.3	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3652.6	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3645.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3660.7	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C1NC23C(C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3773.4	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	3641.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)C(CO)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	3849.4	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3664.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C1NC2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3752.6	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3621.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3613.5	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(C(CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3591.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(C(CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3823.8	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3622.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23C(NC(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C(CO)N1[Si](C)(C)C(C)(C)C	3694.9	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3665.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)C23NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3C(CO)N1[Si](C)(C)C(C)(C)C	3717.6	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3608.5	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C1NC(CO)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O)O[Si](C)(C)C(C)(C)C	3640.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3695.4	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23NC(=N)NC3C(CO[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3624.5	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3604.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(CO)N([Si](C)(C)C(C)(C)C)C(=N)N3CCC(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3757.7	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C	3602.1	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)C23C(C(CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C	3751.1	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3704.8	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3749.4	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3684.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	3621.5	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3680.3	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1NC(CO[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3704.0	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23C1N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3650.9	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23C1N([Si](C)(C)C(C)(C)C)C(=N)N3[Si](C)(C)C(C)(C)C	3768.3	Standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3651.2	Semi standard non polar	33892256
Decarbamoylsaxitoxin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1NC2C(CO[Si](C)(C)C(C)(C)C)NC(=N)N3CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	3658.3	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Decarbamoylsaxitoxin GC-MS (Non-derivatized) - 70eV, Positive	splash10-004r-8490000000-5870e51daa7ec1dfc43f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Decarbamoylsaxitoxin GC-MS (3 TMS) - 70eV, Positive	splash10-0l3i-9233300000-5f6fc15480855d510c98	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Decarbamoylsaxitoxin 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 - Decarbamoylsaxitoxin 10V, Positive-QTOF	splash10-052r-0090000000-ce2d240c1005a9d2cf35	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 20V, Positive-QTOF	splash10-000i-0190000000-b1436b0e0b129c4fe82d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 40V, Positive-QTOF	splash10-0002-9320000000-6d1551e88aeab89d8beb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 10V, Negative-QTOF	splash10-0a4i-0090000000-afabe4010e3121b5470f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 20V, Negative-QTOF	splash10-0a70-1290000000-ca73cb767310e3705183	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 40V, Negative-QTOF	splash10-0006-9500000000-4a528fd8bd7be557febb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 10V, Positive-QTOF	splash10-0a4i-0090000000-d7a07e3bcbfde12c8506	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 20V, Positive-QTOF	splash10-0a4i-0090000000-c962dcd687b2fe4e43d5	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 40V, Positive-QTOF	splash10-0541-0980000000-eae2214420e0764f89da	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 10V, Negative-QTOF	splash10-0a4i-0090000000-3f46795b910fb7e1ccca	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 20V, Negative-QTOF	splash10-0a4i-0190000000-6b5ad299c6bad72e226d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Decarbamoylsaxitoxin 40V, Negative-QTOF	splash10-05r3-2690000000-f955f60ca2e6791c100b	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017652

KNApSAcK ID

Not Available

Chemspider ID

28574223

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Decarbamoylsaxitoxin

METLIN ID

Not Available

PubChem Compound

14917396

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Decarbamoylsaxitoxin (HMDB0038319)

MOL for HMDB0038319 (Decarbamoylsaxitoxin)

3D MOL for HMDB0038319 (Decarbamoylsaxitoxin)

3D SDF for HMDB0038319 (Decarbamoylsaxitoxin)

3D-SDF for HMDB0038319 (Decarbamoylsaxitoxin)

PDB for HMDB0038319 (Decarbamoylsaxitoxin)

3D PDB for HMDB0038319 (Decarbamoylsaxitoxin)

SMILES for HMDB0038319 (Decarbamoylsaxitoxin)

INCHI for HMDB0038319 (Decarbamoylsaxitoxin)

Structure for HMDB0038319 (Decarbamoylsaxitoxin)

3D Structure for HMDB0038319 (Decarbamoylsaxitoxin)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra