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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1) Show 1 protein XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:14:31 UTC

Update Date

2022-03-07 02:53:44 UTC

HMDB ID

HMDB0033506

Secondary Accession Numbers

HMDB33506

Metabolite Identification

Common Name

Gonyautoxin I

Description

Gonyautoxin I 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. Gonyautoxin I has been detected, but not quantified in, mollusks. This could make gonyautoxin I a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Gonyautoxin I.

Structure

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


  Mrv0541 02241215382D          

 27 29  0  0  0  0            999 V2000
   -2.0960    3.5987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    3.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689    3.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    2.3242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240    0.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091   -0.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091    0.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1194    0.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    0.6745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194    1.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -2.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191   -1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -0.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194   -0.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107   -3.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017   -2.8852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -3.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118   -2.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   -1.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -0.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END

HMDB0033508
     RDKit          3D
Gonyautoxin IV
 44 46  0  0  0  0  0  0  0  0999 V2000
   -0.1268   -3.8726   -1.7511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186   -2.7574   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -1.6799   -1.3793 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -0.9255   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681    0.3456   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0561    0.1168   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840    1.3148    0.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740    1.3390    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9449    2.4839    0.2694 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7068    0.2275   -0.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753    0.7540    1.3683 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    1.5074    1.9228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727    0.3086    2.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919    0.4803    3.3239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -0.2905    1.3308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -0.4123    1.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800   -0.1694    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    1.0962   -0.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8923    1.1481   -0.5412 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.3644   -0.2326   -0.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8054    1.7429    0.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0244    2.1269   -1.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -0.1758   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742   -0.8089   -2.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328    1.1095   -0.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993   -0.9561    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351   -2.3596    0.0198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -4.6058   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -1.6019   -2.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -1.6177    0.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881    1.1506   -0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.7062    0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970   -0.2337   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560    3.2630    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    2.5487   -0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777    2.4576    2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    0.1642    3.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -1.4614    1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507    0.3101    2.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631   -0.9704   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9951    2.3582   -1.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -0.9869   -2.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590    1.4554   -1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -2.9846    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  3
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 17 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 27  2  1  0
 26  4  1  0
 26 15  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  9 34  1  0
  9 35  1  0
 12 36  1  0
 14 37  1  0
 16 38  1  0
 16 39  1  0
 17 40  1  0
 22 41  1  0
 24 42  1  0
 25 43  1  0
 27 44  1  0
M  END


  Mrv0541 02241215382D          

 27 29  0  0  0  0            999 V2000
   -2.0960    3.5987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    3.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689    3.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    2.3242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240    0.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091   -0.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091    0.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1194    0.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    0.6745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194    1.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -2.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191   -1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -0.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194   -0.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107   -3.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017   -2.8852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -3.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118   -2.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   -1.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -0.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033506

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)

> <INCHI_KEY>
CETRDCWBMBILAL-UHFFFAOYSA-N

> <FORMULA>
C10H17N7O9S

> <MOLECULAR_WEIGHT>
411.348

> <EXACT_MASS>
411.080845867

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
35.00632718983904

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-3.7270216502611357

> <ALOGPS_LOGS>
-2.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.52723399697513

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.905227701801647

> <JCHEM_PKA_STRONGEST_BASIC>
10.127373141911926

> <JCHEM_POLAR_SURFACE_AREA>
254.84999999999997

> <JCHEM_REFRACTIVITY>
101.6895

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.05e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-2,6-diimino-hexahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033508
     RDKit          3D
Gonyautoxin IV
 44 46  0  0  0  0  0  0  0  0999 V2000
   -0.1268   -3.8726   -1.7511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186   -2.7574   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -1.6799   -1.3793 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -0.9255   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681    0.3456   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0561    0.1168   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840    1.3148    0.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740    1.3390    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9449    2.4839    0.2694 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7068    0.2275   -0.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753    0.7540    1.3683 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    1.5074    1.9228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727    0.3086    2.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919    0.4803    3.3239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -0.2905    1.3308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -0.4123    1.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800   -0.1694    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    1.0962   -0.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8923    1.1481   -0.5412 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.3644   -0.2326   -0.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8054    1.7429    0.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0244    2.1269   -1.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -0.1758   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742   -0.8089   -2.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328    1.1095   -0.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993   -0.9561    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351   -2.3596    0.0198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -4.6058   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -1.6019   -2.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -1.6177    0.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881    1.1506   -0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.7062    0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970   -0.2337   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560    3.2630    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    2.5487   -0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777    2.4576    2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    0.1642    3.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -1.4614    1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507    0.3101    2.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631   -0.9704   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9951    2.3582   -1.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -0.9869   -2.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590    1.4554   -1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -2.9846    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  3
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 17 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 27  2  1  0
 26  4  1  0
 26 15  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  9 34  1  0
  9 35  1  0
 12 36  1  0
 14 37  1  0
 16 38  1  0
 16 39  1  0
 17 40  1  0
 22 41  1  0
 24 42  1  0
 25 43  1  0
 27 44  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0      -3.913   6.718   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -2.622   5.879   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.249   6.576   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -2.622   4.339   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.287   3.569   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.287   2.029   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.045   1.259   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.045  -0.281   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       1.510  -0.756   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       1.510   1.734   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       2.416   0.489   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       3.956   0.489   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -2.622   1.259   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      -3.956   2.029   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.333  -4.051   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.563  -2.719   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.969  -2.557   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -1.287  -1.051   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -2.622  -0.281   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -3.956  -1.051   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0      -0.207  -6.718   0.000  0.00  0.00           O+0
HETATM   22  S   UNK     0       0.563  -5.386   0.000  0.00  0.00           S+0
HETATM   23  O   UNK     0       1.898  -6.156   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -0.769  -4.616   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       2.524  -2.080   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.189  -1.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.751  -1.133   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    9   18   26                                             
CONECT    9    8   11                                                       
CONECT   10    7   11                                                       
CONECT   11    9   10   12                                                  
CONECT   12   11                                                            
CONECT   13    6   14   19                                                  
CONECT   14   13                                                            
CONECT   15   16   22                                                       
CONECT   16   15   17   26                                                  
CONECT   17   16   18                                                       
CONECT   18    8   17   19                                                  
CONECT   19   13   18   20                                                  
CONECT   20   19                                                            
CONECT   21   22                                                            
CONECT   22   15   21   23   24                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   26                                                            
CONECT   26    8   16   25   27                                             
CONECT   27   26                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0033506
HETATM    1  N1  UNL     1       1.142  -0.640   3.742  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.719  -0.551   2.531  1.00  0.00           C  
HETATM    3  N2  UNL     1      -0.416   0.234   2.087  1.00  0.00           N  
HETATM    4  C2  UNL     1      -0.673  -0.283   0.797  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.629   0.348  -0.112  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.018   0.243   0.481  1.00  0.00           C  
HETATM    7  O1  UNL     1      -4.011   0.687  -0.414  1.00  0.00           O  
HETATM    8  C5  UNL     1      -5.328   0.646  -0.001  1.00  0.00           C  
HETATM    9  N3  UNL     1      -6.413   1.067  -0.814  1.00  0.00           N  
HETATM   10  O2  UNL     1      -5.582   0.213   1.160  1.00  0.00           O  
HETATM   11  N4  UNL     1      -1.649  -0.511  -1.326  1.00  0.00           N  
HETATM   12  O3  UNL     1      -2.787  -0.565  -2.016  1.00  0.00           O  
HETATM   13  C6  UNL     1      -0.444  -1.228  -1.680  1.00  0.00           C  
HETATM   14  N5  UNL     1      -0.539  -2.108  -2.609  1.00  0.00           N  
HETATM   15  N6  UNL     1       0.770  -0.948  -1.026  1.00  0.00           N  
HETATM   16  C7  UNL     1       2.156  -0.996  -1.371  1.00  0.00           C  
HETATM   17  C8  UNL     1       2.758   0.219  -0.615  1.00  0.00           C  
HETATM   18  O4  UNL     1       3.636  -0.196   0.356  1.00  0.00           O  
HETATM   19  S1  UNL     1       5.146   0.517   0.227  1.00  0.00           S  
HETATM   20  O5  UNL     1       5.949  -0.076  -0.894  1.00  0.00           O  
HETATM   21  O6  UNL     1       5.039   1.993  -0.027  1.00  0.00           O  
HETATM   22  O7  UNL     1       5.921   0.320   1.705  1.00  0.00           O  
HETATM   23  C9  UNL     1       1.540   0.804   0.144  1.00  0.00           C  
HETATM   24  O8  UNL     1       1.906   1.310   1.364  1.00  0.00           O  
HETATM   25  O9  UNL     1       0.913   1.731  -0.668  1.00  0.00           O  
HETATM   26  C10 UNL     1       0.730  -0.458   0.290  1.00  0.00           C  
HETATM   27  N7  UNL     1       1.285  -1.215   1.364  1.00  0.00           N  
HETATM   28  H1  UNL     1       0.710  -0.154   4.530  1.00  0.00           H  
HETATM   29  H2  UNL     1      -0.912   0.984   2.591  1.00  0.00           H  
HETATM   30  H3  UNL     1      -1.037  -1.355   0.953  1.00  0.00           H  
HETATM   31  H4  UNL     1      -1.412   1.382  -0.399  1.00  0.00           H  
HETATM   32  H5  UNL     1      -3.221  -0.839   0.719  1.00  0.00           H  
HETATM   33  H6  UNL     1      -3.065   0.759   1.470  1.00  0.00           H  
HETATM   34  H7  UNL     1      -7.263   1.450  -0.356  1.00  0.00           H  
HETATM   35  H8  UNL     1      -6.368   0.997  -1.837  1.00  0.00           H  
HETATM   36  H9  UNL     1      -3.157  -1.475  -2.098  1.00  0.00           H  
HETATM   37  H10 UNL     1      -1.431  -2.313  -3.099  1.00  0.00           H  
HETATM   38  H11 UNL     1       2.586  -1.924  -0.896  1.00  0.00           H  
HETATM   39  H12 UNL     1       2.368  -0.926  -2.438  1.00  0.00           H  
HETATM   40  H13 UNL     1       3.156   0.946  -1.329  1.00  0.00           H  
HETATM   41  H14 UNL     1       6.079  -0.626   1.925  1.00  0.00           H  
HETATM   42  H15 UNL     1       2.655   1.929   1.354  1.00  0.00           H  
HETATM   43  H16 UNL     1       1.263   2.637  -0.534  1.00  0.00           H  
HETATM   44  H17 UNL     1       1.927  -2.029   1.344  1.00  0.00           H  
CONECT    1    2    2   28
CONECT    2    3   27
CONECT    3    4   29
CONECT    4    5   26   30
CONECT    5    6   11   31
CONECT    6    7   32   33
CONECT    7    8
CONECT    8    9   10   10
CONECT    9   34   35
CONECT   11   12   13
CONECT   12   36
CONECT   13   14   14   15
CONECT   14   37
CONECT   15   16   26
CONECT   16   17   38   39
CONECT   17   18   23   40
CONECT   18   19
CONECT   19   20   20   21   21
CONECT   19   22
CONECT   22   41
CONECT   23   24   25   26
CONECT   24   42
CONECT   25   43
CONECT   26   27
CONECT   27   44
END

HMDB0033508
     RDKit          3D
Gonyautoxin IV
 44 46  0  0  0  0  0  0  0  0999 V2000
   -0.1268   -3.8726   -1.7511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186   -2.7574   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -1.6799   -1.3793 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -0.9255   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681    0.3456   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0561    0.1168   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840    1.3148    0.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740    1.3390    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9449    2.4839    0.2694 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7068    0.2275   -0.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753    0.7540    1.3683 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    1.5074    1.9228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727    0.3086    2.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919    0.4803    3.3239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -0.2905    1.3308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -0.4123    1.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800   -0.1694    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    1.0962   -0.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8923    1.1481   -0.5412 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.3644   -0.2326   -0.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8054    1.7429    0.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0244    2.1269   -1.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -0.1758   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742   -0.8089   -2.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328    1.1095   -0.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993   -0.9561    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351   -2.3596    0.0198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -4.6058   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -1.6019   -2.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -1.6177    0.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881    1.1506   -0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.7062    0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970   -0.2337   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560    3.2630    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    2.5487   -0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777    2.4576    2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    0.1642    3.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -1.4614    1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507    0.3101    2.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631   -0.9704   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9951    2.3582   -1.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -0.9869   -2.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590    1.4554   -1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -2.9846    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  3
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 17 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 27  2  1  0
 26  4  1  0
 26 15  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  9 34  1  0
  9 35  1  0
 12 36  1  0
 14 37  1  0
 16 38  1  0
 16 39  1  0
 17 40  1  0
 22 41  1  0
 24 42  1  0
 25 43  1  0
 27 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Gonyautoxin 1	HMDB
Gonyautoxin-I	HMDB
GTX I	HMDB
GTX1	HMDB
Toxin GTX1	HMDB
{[5,10,10-trihydroxy-2,6-diimino-9-(sulfooxy)-decahydropyrrolo[1,2-c]purin-4-yl]methoxy}carboximidate	Generator
{[5,10,10-trihydroxy-2,6-diimino-9-(sulphooxy)-decahydropyrrolo[1,2-c]purin-4-yl]methoxy}carboximidate	Generator
{[5,10,10-trihydroxy-2,6-diimino-9-(sulphooxy)-decahydropyrrolo[1,2-c]purin-4-yl]methoxy}carboximidic acid	Generator
Gonyautoxin I	MeSH
Gonyautoxin IV	MeSH
Gonyautoxin-IV	MeSH

Chemical Formula

C₁₀H₁₇N₇O₉S

Average Molecular Weight

411.348

Monoisotopic Molecular Weight

411.080845867

IUPAC Name

{4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid

Traditional Name

{4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-2,6-diimino-hexahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid

CAS Registry Number

60748-39-2

SMILES

NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O

InChI Identifier

InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)

InChI Key

CETRDCWBMBILAL-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
Sulfuric acid monoester
Sulfate-ester
Sulfuric acid ester
Alkyl sulfate
N-hydroxyguanidine
2-imidazoline
Organic sulfuric acid or derivatives
Pyrrolidine
Carbamic acid ester
Guanidine
Carbonic acid derivative
Organic 1,3-dipolar compound
Organoheterocyclic compound
Azacycle
Carboximidamide
Polyol
Propargyl-type 1,3-dipolar organic compound
Carbonyl hydrate
Hydrocarbon derivative
Organic oxide
Carbonyl group
Imine
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033508)
Cytoplasm (HMDB: HMDB0033508)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033508)

Source

Exogenous

Food

Food (HMDB: HMDB0033508)

Aquatic origin

Mollusk

Mollusks (FooDB: FOOD00868)

Endogenous

Plant

Plant (HMDB: HMDB0033508)

Animal

Animal (HMDB: HMDB0033508)

Not Available

Nutrient (HMDB: HMDB0033508)

Environmental role

Environmental contaminant (HMDB: HMDB0033508)

Indirect biological role

Marine biotoxin (HMDB: HMDB0033508)

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	3.05 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-3.7	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	-1.9	ChemAxon
pKa (Strongest Basic)	10.13	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	254.85 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	101.69 m³·mol⁻¹	ChemAxon
Polarizability	35.01 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	188.551	31661259
DarkChem	[M-H]-	182.031	31661259
DeepCCS	[M-2H]-	213.003	30932474
DeepCCS	[M+Na]+	188.907	30932474
AllCCS	[M+H]+	185.3	32859911
AllCCS	[M+H-H2O]+	182.8	32859911
AllCCS	[M+NH4]+	187.6	32859911
AllCCS	[M+Na]+	188.3	32859911
AllCCS	[M-H]-	182.2	32859911
AllCCS	[M+Na-2H]-	181.9	32859911
AllCCS	[M+HCOO]-	181.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Gonyautoxin I	NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O	6510.2	Standard polar	33892256
Gonyautoxin I	NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O	3338.0	Standard non polar	33892256
Gonyautoxin I	NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O	4234.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Gonyautoxin I,1TMS,isomer #1	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4040.7	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #1	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4040.7	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC32C1(O)O	4065.4	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC32C1(O)O	4065.4	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #3	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4143.8	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #3	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4143.8	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #4	C[Si](C)(C)N1C(=N)NC23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	3897.8	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #4	C[Si](C)(C)N1C(=N)NC23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	3897.8	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #5	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4044.0	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #5	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4044.0	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #6	C[Si](C)(C)N1C(=N)NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	3926.1	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #6	C[Si](C)(C)N1C(=N)NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	3926.1	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4000.0	Semi standard non polar	33892256
Gonyautoxin I,1TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4000.0	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #1	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	3999.1	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #1	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	3999.1	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #10	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	3899.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #10	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	3899.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #11	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3996.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #11	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3996.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #12	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	3915.7	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #12	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	3915.7	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #13	C[Si](C)(C)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C	4128.9	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #13	C[Si](C)(C)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C	4128.9	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #14	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	3946.6	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #14	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	3946.6	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #15	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4073.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #15	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4073.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #16	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	3973.7	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #16	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	3973.7	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4037.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4037.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #18	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	3829.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #18	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	3829.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #19	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	3712.4	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #19	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	3712.4	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #2	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4022.2	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #2	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4022.2	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #20	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	3830.8	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #20	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	3830.8	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	3942.7	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	3942.7	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #22	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3858.2	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #22	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3858.2	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #23	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3838.8	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #23	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3838.8	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #3	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	4087.4	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #3	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	4087.4	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #4	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3950.9	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #4	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3950.9	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #5	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	3864.2	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #5	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	3864.2	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #6	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3976.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #6	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3976.3	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #7	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	3902.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #7	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	3902.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #8	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	4136.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #8	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	4136.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #9	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3965.5	Semi standard non polar	33892256
Gonyautoxin I,2TMS,isomer #9	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3965.5	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #1	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	3977.9	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #1	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	3867.7	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #10	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3951.4	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #10	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3910.1	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #11	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	3880.3	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #11	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	3986.9	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #12	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	4045.8	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #12	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	3939.2	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #13	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	3894.1	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #13	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	3906.9	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #14	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3991.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #14	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3853.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #15	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	3925.1	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #15	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	3912.4	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #16	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3972.7	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #16	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3776.1	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3786.4	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3840.1	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #18	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3874.9	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #18	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3773.5	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #19	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3796.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #19	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3829.4	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #2	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	4032.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #2	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3800.9	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #20	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	3794.0	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #20	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	3902.2	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #21	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3684.5	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #21	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3973.7	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #22	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3823.2	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #22	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3898.4	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #23	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC32C1(O)O	4126.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #23	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC32C1(O)O	4023.1	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #24	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	3921.9	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #24	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	3987.5	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #25	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4017.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #25	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3924.7	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #26	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	3947.9	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #26	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	3999.8	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #27	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3997.0	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #27	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3849.0	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3800.7	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3922.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #29	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3881.4	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #29	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3849.9	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #3	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3911.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #3	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3741.5	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #30	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3810.8	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #30	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3918.2	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #31	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	3804.1	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #31	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	3981.5	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #32	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	3689.4	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #32	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4083.8	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #33	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	3836.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #33	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	3981.8	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #34	C[Si](C)(C)N1C(=N)NC23C1C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	3935.8	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #34	C[Si](C)(C)N1C(=N)NC23C1C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4046.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #35	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4037.1	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #35	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	3990.7	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #36	C[Si](C)(C)N1C(=N)NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	3974.9	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #36	C[Si](C)(C)N1C(=N)NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4046.9	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4006.9	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	3916.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #38	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	3864.4	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #38	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	3926.4	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #39	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	3737.3	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #39	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	3991.5	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #4	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	3837.3	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #4	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	3873.8	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	3857.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	3864.8	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	3965.6	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	3789.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #42	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3889.2	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #42	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3919.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #43	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3859.9	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #43	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3850.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #44	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3645.0	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #44	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3826.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #45	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	3762.8	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #45	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	3835.6	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #46	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3635.1	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #46	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3906.5	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3776.5	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3823.6	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #5	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3941.1	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #5	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3820.6	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #6	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	3870.0	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #6	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	3885.3	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #7	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	4043.5	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #7	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	3892.1	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #8	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3917.0	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #8	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3826.2	Standard non polar	33892256
Gonyautoxin I,3TMS,isomer #9	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	3851.3	Semi standard non polar	33892256
Gonyautoxin I,3TMS,isomer #9	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	3974.3	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #1	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3939.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #1	C[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3964.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #10	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3906.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #10	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3873.0	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #11	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3725.9	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #11	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3935.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #12	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3808.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #12	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3870.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #13	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3732.0	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #13	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3930.0	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #14	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	3737.4	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #14	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	3990.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #15	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3660.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #15	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4057.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #16	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3745.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #16	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3999.2	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #17	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	3982.9	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #17	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	4078.5	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #18	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	3860.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #18	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	4066.0	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #19	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3948.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #19	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4004.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #2	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3833.0	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #2	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3903.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #20	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	3881.6	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #20	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	4078.9	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #21	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3915.3	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #21	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3926.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3734.3	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4007.5	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #23	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3808.9	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #23	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3933.8	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #24	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3722.8	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #24	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3996.8	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #25	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	3740.6	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #25	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4060.3	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #26	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3662.0	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #26	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4147.8	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #27	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3746.9	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #27	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4062.1	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3903.8	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3991.2	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #29	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	3858.6	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #29	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4115.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #3	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	3809.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #3	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)NC321	4039.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #30	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3960.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #30	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4065.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #31	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	3886.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #31	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4119.9	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #32	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	3801.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #32	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4023.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #33	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	3717.9	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #33	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)C(=N)N1O	4086.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #34	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3781.0	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #34	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3965.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #35	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3887.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #35	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3887.9	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #36	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3823.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #36	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4021.3	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3785.4	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3952.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3693.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3936.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #39	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3595.8	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #39	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4013.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #4	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3867.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #4	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3983.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3679.9	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3924.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #41	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3620.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #41	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3942.2	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #42	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3953.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #42	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4045.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #43	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	3891.3	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #43	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	4175.2	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #44	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3985.6	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #44	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4119.3	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #45	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	3910.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #45	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	4186.0	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #46	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	3821.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #46	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	4078.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #47	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	3722.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #47	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	4166.5	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #48	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3811.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #48	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4025.3	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #49	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3909.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #49	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3939.1	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #5	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	3832.0	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #5	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C)C321	4062.1	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #50	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	3838.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #50	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4082.2	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3806.8	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4017.1	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #52	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3694.0	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #52	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4003.5	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #53	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3592.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #53	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4095.9	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #54	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3689.7	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #54	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3999.1	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #55	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	3615.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #55	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4018.1	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #56	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	3823.9	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #56	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4139.1	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #57	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	3724.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #57	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4196.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #58	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	3803.0	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #58	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4083.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #59	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	3911.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #59	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4001.6	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #6	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	3952.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #6	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	4011.2	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #60	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3836.4	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #60	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4134.2	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3791.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4067.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #62	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3684.1	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #62	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3971.5	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	3779.8	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	3951.0	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #64	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3650.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #64	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4033.9	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #65	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3771.8	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #65	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3945.0	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3567.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3877.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #7	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3847.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #7	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3992.7	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #8	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3935.2	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #8	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3947.4	Standard non polar	33892256
Gonyautoxin I,4TMS,isomer #9	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3872.5	Semi standard non polar	33892256
Gonyautoxin I,4TMS,isomer #9	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	4007.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #1	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	3914.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #1	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)NC321	4131.3	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #10	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3660.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #10	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4220.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #11	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3709.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #11	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4146.4	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #12	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3811.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #12	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4075.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #13	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	3842.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #13	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4196.0	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #14	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3877.9	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #14	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4157.3	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #15	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	3847.5	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #15	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4204.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #16	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	3763.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #16	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	4125.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #17	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3709.1	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #17	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	4182.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #18	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3735.4	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #18	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4067.3	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #19	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3799.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #19	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3987.3	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #2	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3830.5	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #2	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	4136.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #20	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3760.1	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #20	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4125.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #21	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3732.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #21	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4048.1	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3639.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4037.3	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #23	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3574.3	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #23	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4113.3	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #24	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3617.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #24	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4022.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #25	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3605.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #25	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4043.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #26	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3825.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #26	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4105.2	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #27	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	3857.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #27	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4244.0	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #28	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3894.3	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #28	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4191.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #29	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	3862.9	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #29	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4254.0	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #3	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3853.3	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #3	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4083.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #30	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	3773.9	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #30	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4167.6	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #31	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	3716.5	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #31	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)C(=N)N1O	4246.6	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #32	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3746.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #32	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4105.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #33	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3817.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #33	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4021.2	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #34	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3777.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #34	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4169.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #35	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3732.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #35	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4090.1	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #36	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3641.2	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #36	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4089.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3575.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4176.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3627.4	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4076.1	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #39	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3601.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #39	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4097.1	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #4	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3834.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #4	C[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	4147.1	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3750.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4173.0	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	3812.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4092.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #42	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3738.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #42	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4156.4	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #43	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	3789.9	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #43	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4227.4	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #44	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3715.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #44	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4281.6	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #45	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3783.5	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #45	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4225.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #46	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3676.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #46	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4074.2	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3714.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4058.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #48	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3630.3	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #48	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4137.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #49	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3678.9	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #49	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4044.0	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #5	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3796.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #5	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3996.4	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #50	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3553.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #50	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3960.4	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3785.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4215.3	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #52	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	3834.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #52	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4128.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #53	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3751.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #53	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4206.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #54	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	3819.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #54	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	4269.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #55	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	3719.8	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #55	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4344.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #56	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	3796.4	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #56	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4273.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #57	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	3678.3	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #57	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4127.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #58	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3720.2	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #58	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4096.5	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #59	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3634.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #59	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4203.0	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #6	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3683.5	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #6	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4084.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #60	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3697.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #60	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4103.5	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3560.5	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4024.0	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #62	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	3669.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #62	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4177.8	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	3727.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4157.1	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #64	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3628.0	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #64	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4240.2	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #65	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3701.3	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #65	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4153.1	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3604.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4001.9	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #7	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3715.6	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #7	C[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4004.6	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #8	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3687.7	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #8	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4069.7	Standard non polar	33892256
Gonyautoxin I,5TMS,isomer #9	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	3711.5	Semi standard non polar	33892256
Gonyautoxin I,5TMS,isomer #9	C[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	4140.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #1	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3776.7	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #1	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4170.2	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #10	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3707.8	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #10	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4166.3	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #11	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3632.0	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #11	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4158.7	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #12	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3583.5	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #12	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4238.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #13	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3604.0	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #13	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4146.7	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #14	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3612.0	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #14	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4173.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #15	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3748.1	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #15	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4256.7	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #16	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3754.7	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #16	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4180.5	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3731.9	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4237.4	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #18	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	3792.9	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #18	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	4322.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #19	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3718.9	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #19	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4366.7	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #2	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	3859.5	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #2	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4297.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #20	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3770.4	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #20	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4318.3	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #21	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3675.4	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #21	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4172.1	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3677.6	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4154.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #23	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3629.4	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #23	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4225.2	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #24	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3644.0	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #24	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4141.8	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #25	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	3556.0	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #25	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4052.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #26	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3754.6	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #26	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4279.2	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #27	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	3758.8	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #27	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4203.2	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3745.8	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4264.2	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #29	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	3806.1	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #29	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4344.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #3	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3854.9	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #3	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4258.2	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #30	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	3726.9	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #30	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4411.4	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #31	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3788.6	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #31	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4345.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #32	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3678.9	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #32	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4204.5	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #33	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3683.4	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #33	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4185.1	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #34	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3631.7	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #34	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4269.3	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #35	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3655.6	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #35	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4181.3	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #36	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	3556.9	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #36	C[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4087.9	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3709.3	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4252.1	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3643.4	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4328.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #39	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3685.5	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #39	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4239.9	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #4	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	3838.5	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #4	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4304.1	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #40	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3681.3	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #40	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4263.2	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #41	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	3604.0	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #41	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4093.4	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #42	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3735.2	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #42	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4279.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #43	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3650.4	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #43	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4377.5	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #44	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3708.2	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #44	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4286.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #45	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	3684.8	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #45	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4301.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #46	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	3606.0	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #46	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4138.3	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	3611.1	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4201.8	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #5	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	3765.6	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #5	C[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	4244.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #6	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	3717.2	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #6	C[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1O	4307.9	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	3706.6	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4182.6	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #8	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	3705.4	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #8	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4105.0	Standard non polar	33892256
Gonyautoxin I,6TMS,isomer #9	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	3746.2	Semi standard non polar	33892256
Gonyautoxin I,6TMS,isomer #9	C[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4247.2	Standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4260.7	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4260.7	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC32C1(O)O	4278.0	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC32C1(O)O	4278.0	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4342.8	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4342.8	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(=N)NC23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4181.0	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(=N)NC23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4181.0	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4258.3	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4258.3	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C(=N)NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4185.7	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C(=N)NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4185.7	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4198.8	Semi standard non polar	33892256
Gonyautoxin I,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4198.8	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4431.6	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4431.6	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC32C1(O)O	4381.0	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC32C1(O)O	4381.0	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4410.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4410.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	4354.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	4354.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C(C)(C)C	4520.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C(C)(C)C	4520.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4446.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4446.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4508.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4508.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4436.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4436.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4456.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4456.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	4287.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	4287.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4155.6	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C23C1C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4155.6	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4454.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4454.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4299.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4299.2	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4316.0	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4316.0	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4276.3	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4276.3	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4244.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4244.7	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4527.3	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4527.3	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4355.5	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4355.5	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4366.5	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4366.5	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4408.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4408.9	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4358.4	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4358.4	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4545.8	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4545.8	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4364.6	Semi standard non polar	33892256
Gonyautoxin I,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4364.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4601.4	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)NC321	4746.3	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4560.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4768.6	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4517.4	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4813.1	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	4647.8	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	4803.4	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4573.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4789.0	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4622.8	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4735.4	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4558.4	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4777.1	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4579.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4650.6	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4411.0	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4707.8	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4425.9	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4626.6	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4371.9	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4679.7	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4663.0	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4718.6	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4431.7	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4763.9	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	4336.1	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	4820.3	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	4419.3	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	4747.9	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC32C1(O)O	4691.4	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC32C1(O)O	4839.9	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4611.4	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4825.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4652.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4767.4	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4579.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4816.3	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4599.3	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4686.6	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4438.9	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4754.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4432.9	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4672.7	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4474.8	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4637.1	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4380.2	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4731.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)N1[Si](C)(C)C(C)(C)C	4457.3	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)N1[Si](C)(C)C(C)(C)C	4805.2	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	4335.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	4880.1	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4434.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4790.3	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N1C(=N)NC23C1C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4561.5	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N1C(=N)NC23C1C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4867.0	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4625.7	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4819.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N1C(=N)NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4544.3	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N1C(=N)NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4849.9	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4566.4	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4741.9	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	4502.7	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	4772.9	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4367.7	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4832.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4504.8	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4765.7	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4506.0	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4718.4	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4541.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4619.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4485.5	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4756.9	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4452.7	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4687.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4249.8	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4684.4	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4344.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4667.6	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4232.7	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4746.4	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4315.5	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4647.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	4523.9	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	4719.1	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4489.5	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4762.5	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4704.0	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4760.7	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	4494.4	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	4685.4	Standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4534.6	Semi standard non polar	33892256
Gonyautoxin I,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4822.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4757.9	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	5073.0	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4630.4	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4996.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4533.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5056.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	4521.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	4972.7	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4492.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5028.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4558.9	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	5104.8	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	4487.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	5167.5	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	4539.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	5094.0	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	4781.2	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5148.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4696.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	5149.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4730.2	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	5095.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4584.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5005.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4667.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	5140.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	4669.2	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	5013.2	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	4554.6	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	5086.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4548.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	5002.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	4502.0	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C	5053.8	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4585.6	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(N)=O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	5130.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	4487.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	5199.8	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	4563.4	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	5117.5	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4639.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	5075.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4660.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	5204.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4640.5	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	5133.0	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4701.0	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	5156.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4639.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	5186.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4602.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	5122.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4509.2	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1O	5181.0	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4584.9	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	5067.8	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4588.4	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4975.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	4586.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	5104.8	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4538.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	5036.0	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4487.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	5022.5	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4406.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	5097.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	4640.9	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	5084.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4447.6	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4997.2	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	4414.0	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1[Si](C)(C)C(C)(C)C	5048.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4681.8	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5093.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3N([Si](C)(C)C(C)(C)C)C(=N)NC32C1(O)O	4697.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3N([Si](C)(C)C(C)(C)C)C(=N)NC32C1(O)O	5221.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4735.4	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	5176.6	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	4662.1	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	5212.8	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)N1[Si](C)(C)C(C)(C)C	4630.9	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)N1[Si](C)(C)C(C)(C)C	5139.5	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4516.6	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	5209.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4619.5	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5087.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4623.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4999.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4611.1	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CN2C(=N)N(O)C(COC(N)=O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	5130.7	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4599.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	5127.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4552.6	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5061.6	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4494.5	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5053.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4396.2	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5137.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4448.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5034.0	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4400.4	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(N)=O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	5081.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	4623.7	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	5199.5	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C23C1C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4526.1	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C23C1C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	5244.9	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4605.1	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	5148.5	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4621.1	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	5064.1	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	4735.0	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5130.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4601.4	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	5179.5	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4551.9	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	5115.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4437.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	5064.7	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4543.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	5020.3	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[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)C23N1CC(OS(=O)(=O)O)C3(O)O	4436.2	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[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)C23N1CC(OS(=O)(=O)O)C3(O)O	5111.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4486.2	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N[Si](C)(C)C(C)(C)C)C2NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	5007.6	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)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)C23N1CC(OS(=O)(=O)O)C3(O)O	4351.6	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(N)=O)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)C23N1CC(OS(=O)(=O)O)C3(O)O	4953.4	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4667.9	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	5128.6	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	4683.3	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C23N1	5077.0	Standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	4643.6	Semi standard non polar	33892256
Gonyautoxin I,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1O	5119.3	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Gonyautoxin I GC-MS (Non-derivatized) - 70eV, Positive	splash10-007o-7619000000-ed68b555eab6772d72b9	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gonyautoxin I GC-MS (2 TMS) - 70eV, Positive	splash10-00fu-9210710000-dd21a56151783c5d669b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gonyautoxin I GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gonyautoxin I 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 - Gonyautoxin I 10V, Positive-QTOF	splash10-03di-2009600000-5bd70d0c7323125dc4a8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 20V, Positive-QTOF	splash10-0w93-1049000000-32fd5080f106be27748c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 40V, Positive-QTOF	splash10-01oy-9030000000-e35b154cd167754ef1c8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 10V, Negative-QTOF	splash10-0006-9002100000-2e600e9ec3735e4b8979	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 20V, Negative-QTOF	splash10-0006-9002000000-fb621e4e590b8e9d6d65	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 40V, Negative-QTOF	splash10-0006-9120000000-5823afe405114b8d148d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 10V, Positive-QTOF	splash10-03di-0000900000-7325e0beea21a1d7d553	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 20V, Positive-QTOF	splash10-0ik9-0019500000-b90a75fcb47e1061a710	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 40V, Positive-QTOF	splash10-0udj-0091000000-6f88df41cc8bd598701e	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 10V, Negative-QTOF	splash10-02ta-0009400000-7feadb65706cff02f029	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 20V, Negative-QTOF	splash10-03xv-9004100000-7fe00f4d9626977ccda9	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gonyautoxin I 40V, Negative-QTOF	splash10-00kf-9154000000-b86a4c99b2c7fb3017eb	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

104848

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.. .

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

Gonyautoxin I → 3,4,5-trihydroxy-6-{5,10,10-trihydroxy-4-[(C-hydroxycarbonimidoyloxy)methyl]-2,6-diimino-9-(sulfooxy)-decahydro-5λ⁵-pyrrolo[1,2-c]purin-5-yl}oxane-2-carboxylic acid	details

Showing metabocard for Gonyautoxin I (HMDB0033506)

MOL for HMDB0033506 (Gonyautoxin I)

3D MOL for HMDB0033506 (Gonyautoxin I)

3D SDF for HMDB0033506 (Gonyautoxin I)

3D-SDF for HMDB0033506 (Gonyautoxin I)

PDB for HMDB0033506 (Gonyautoxin I)

3D PDB for HMDB0033506 (Gonyautoxin I)

SMILES for HMDB0033506 (Gonyautoxin I)

INCHI for HMDB0033506 (Gonyautoxin I)

Structure for HMDB0033506 (Gonyautoxin I)

3D Structure for HMDB0033506 (Gonyautoxin I)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions