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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:14:43 UTC

Update Date

2022-03-07 02:53:44 UTC

HMDB ID

HMDB0033509

Secondary Accession Numbers

HMDB33509

Metabolite Identification

Common Name

Protogonyautoxin 3

Description

Protogonyautoxin 3 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. Protogonyautoxin 3 has been detected, but not quantified in, mollusks. This could make protogonyautoxin 3 a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Protogonyautoxin 3.

Structure

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


  Mrv0541 02241216542D          

 31 33  0  0  0  0            999 V2000
   -1.7504    2.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3232    2.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    1.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    1.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -1.2162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6404   -0.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654   -0.5494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -0.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738    0.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -2.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -2.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -2.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438   -1.3743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738   -1.3743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -4.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -3.6968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627   -4.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -3.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -1.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9831   -1.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535   -1.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504    3.6129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    4.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0354    4.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5372    4.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  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
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END

HMDB0033509
     RDKit          3D
Protogonyautoxin 3
 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.4447    2.6531   -1.5488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160    1.6009   -0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    0.3314   -0.8400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651   -0.5258    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -0.2768    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087   -0.6989    1.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    0.0111    0.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3978   -0.1818    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903   -1.0571    0.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1220    0.5770   -0.7332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7800    0.3477   -1.0406 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.4508    1.6620   -1.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0321   -0.6850   -2.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6022   -0.2117    0.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755   -1.0544    2.4954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -1.9183    3.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.8780    2.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962   -1.3103    3.6181 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803   -0.2130    1.5089 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2288    0.2936    1.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    0.0935   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340   -0.7992   -0.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406   -0.0981   -1.1148 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.3223   -0.9655   -2.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813    0.1565   -0.1638 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    1.3656   -1.7523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878   -0.4217   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -1.7920   -0.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    0.2191   -1.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974    0.0830    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    1.5023    0.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    2.5842   -2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699    0.0911   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -1.5924   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264    0.7857    1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292   -0.6785    2.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190   -1.7728    1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6105    1.2961   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4873    0.5168    1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287   -2.8362    3.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629   -1.7869    4.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675   -0.2281    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    1.3893    1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    1.0844   -0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    2.0972   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -2.2015   -0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462    1.1844   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    2.2583    0.5157 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  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
  5 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  3
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
 21 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 31  2  1  0
 30  4  1  0
 30 19  1  0
  1 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
 10 38  1  0
 14 39  1  0
 16 40  1  0
 18 41  1  0
 20 42  1  0
 20 43  1  0
 21 44  1  0
 26 45  1  0
 28 46  1  0
 29 47  1  0
 31 48  1  0
M  END


  Mrv0541 02241216542D          

 31 33  0  0  0  0            999 V2000
   -1.7504    2.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3232    2.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    1.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    1.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -1.2162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6404   -0.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654   -0.5494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -0.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738    0.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -2.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -2.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -2.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438   -1.3743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738   -1.3743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -4.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -3.6968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627   -4.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -3.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -1.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9831   -1.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535   -1.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504    3.6129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    4.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0354    4.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5372    4.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  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
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033509

> <DATABASE_NAME>
hmdb

> <SMILES>
ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)

> <INCHI_KEY>
HUDHMIUZDXZZRC-UHFFFAOYSA-N

> <FORMULA>
C10H17N7O12S2

> <MOLECULAR_WEIGHT>
491.412

> <EXACT_MASS>
491.037660423

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
39.76864731357893

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.65

> <JCHEM_LOGP>
-4.381335509953761

> <ALOGPS_LOGS>
-2.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
-1.4178011903136953

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.0707710964078947

> <JCHEM_PKA_STRONGEST_BASIC>
9.39945840748128

> <JCHEM_POLAR_SURFACE_AREA>
295.22999999999996

> <JCHEM_REFRACTIVITY>
112.09569999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.43e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033509
     RDKit          3D
Protogonyautoxin 3
 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.4447    2.6531   -1.5488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160    1.6009   -0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    0.3314   -0.8400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651   -0.5258    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -0.2768    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087   -0.6989    1.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    0.0111    0.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3978   -0.1818    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903   -1.0571    0.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1220    0.5770   -0.7332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7800    0.3477   -1.0406 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.4508    1.6620   -1.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0321   -0.6850   -2.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6022   -0.2117    0.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755   -1.0544    2.4954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -1.9183    3.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.8780    2.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962   -1.3103    3.6181 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803   -0.2130    1.5089 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2288    0.2936    1.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    0.0935   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340   -0.7992   -0.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406   -0.0981   -1.1148 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.3223   -0.9655   -2.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813    0.1565   -0.1638 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    1.3656   -1.7523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878   -0.4217   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -1.7920   -0.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    0.2191   -1.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974    0.0830    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    1.5023    0.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    2.5842   -2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699    0.0911   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -1.5924   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264    0.7857    1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292   -0.6785    2.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190   -1.7728    1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6105    1.2961   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4873    0.5168    1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287   -2.8362    3.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629   -1.7869    4.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675   -0.2281    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    1.3893    1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    1.0844   -0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    2.0972   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -2.2015   -0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462    1.1844   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    2.2583    0.5157 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  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
  5 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  3
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
 21 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 31  2  1  0
 30  4  1  0
 30 19  1  0
  1 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
 10 38  1  0
 14 39  1  0
 16 40  1  0
 18 41  1  0
 20 42  1  0
 20 43  1  0
 21 44  1  0
 26 45  1  0
 28 46  1  0
 29 47  1  0
 31 48  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      -3.267   5.204   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -1.976   4.365   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.603   5.063   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -1.976   2.825   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.642   2.054   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.642   0.515   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.690  -0.255   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.690  -1.795   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       2.156  -2.270   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       2.156   0.220   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       3.062  -1.026   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       4.602  -1.026   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -1.976  -0.255   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      -3.311   0.515   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.979  -5.566   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.209  -4.234   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.323  -4.072   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -0.642  -2.565   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -1.976  -1.795   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -3.311  -2.565   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0       0.439  -8.233   0.000  0.00  0.00           O+0
HETATM   22  S   UNK     0       1.209  -6.901   0.000  0.00  0.00           S+0
HETATM   23  O   UNK     0       2.544  -7.671   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -0.123  -6.131   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       3.170  -3.594   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.835  -2.824   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.460  -2.298   0.000  0.00  0.00           O+0
HETATM   28  S   UNK     0      -3.267   6.744   0.000  0.00  0.00           S+0
HETATM   29  O   UNK     0      -4.602   7.514   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.933   7.514   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.869   8.233   0.000  0.00  0.00           O+0
CONECT    1    2   28                                                       
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                                                            
CONECT   28    1   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0033509
HETATM    1  N1  UNL     1      -0.445   2.653  -1.549  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.116   1.601  -0.841  1.00  0.00           C  
HETATM    3  N2  UNL     1      -0.778   0.331  -0.840  1.00  0.00           N  
HETATM    4  C2  UNL     1      -0.165  -0.526   0.166  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.873  -0.277   1.492  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.309  -0.699   1.449  1.00  0.00           C  
HETATM    7  O1  UNL     1      -3.066   0.011   0.496  1.00  0.00           O  
HETATM    8  C5  UNL     1      -4.398  -0.182   0.258  1.00  0.00           C  
HETATM    9  O2  UNL     1      -4.990  -1.057   0.940  1.00  0.00           O  
HETATM   10  N3  UNL     1      -5.122   0.577  -0.733  1.00  0.00           N  
HETATM   11  S1  UNL     1      -6.780   0.348  -1.041  1.00  0.00           S  
HETATM   12  O3  UNL     1      -7.451   1.662  -1.411  1.00  0.00           O  
HETATM   13  O4  UNL     1      -7.032  -0.685  -2.121  1.00  0.00           O  
HETATM   14  O5  UNL     1      -7.602  -0.212   0.332  1.00  0.00           O  
HETATM   15  N4  UNL     1      -0.175  -1.054   2.495  1.00  0.00           N  
HETATM   16  O6  UNL     1      -0.797  -1.918   3.327  1.00  0.00           O  
HETATM   17  C6  UNL     1       1.238  -0.878   2.589  1.00  0.00           C  
HETATM   18  N5  UNL     1       1.896  -1.310   3.618  1.00  0.00           N  
HETATM   19  N6  UNL     1       1.880  -0.213   1.509  1.00  0.00           N  
HETATM   20  C7  UNL     1       3.229   0.294   1.341  1.00  0.00           C  
HETATM   21  C8  UNL     1       3.501   0.093  -0.141  1.00  0.00           C  
HETATM   22  O7  UNL     1       4.534  -0.799  -0.294  1.00  0.00           O  
HETATM   23  S2  UNL     1       5.841  -0.098  -1.115  1.00  0.00           S  
HETATM   24  O8  UNL     1       6.322  -0.965  -2.225  1.00  0.00           O  
HETATM   25  O9  UNL     1       6.981   0.156  -0.164  1.00  0.00           O  
HETATM   26  O10 UNL     1       5.342   1.366  -1.752  1.00  0.00           O  
HETATM   27  C9  UNL     1       2.188  -0.422  -0.744  1.00  0.00           C  
HETATM   28  O11 UNL     1       2.169  -1.792  -0.858  1.00  0.00           O  
HETATM   29  O12 UNL     1       1.923   0.219  -1.944  1.00  0.00           O  
HETATM   30  C10 UNL     1       1.197   0.083   0.283  1.00  0.00           C  
HETATM   31  N7  UNL     1       0.965   1.502   0.073  1.00  0.00           N  
HETATM   32  H1  UNL     1      -1.263   2.584  -2.180  1.00  0.00           H  
HETATM   33  H2  UNL     1      -1.570   0.091  -1.472  1.00  0.00           H  
HETATM   34  H3  UNL     1      -0.174  -1.592  -0.114  1.00  0.00           H  
HETATM   35  H4  UNL     1      -0.726   0.786   1.733  1.00  0.00           H  
HETATM   36  H5  UNL     1      -2.729  -0.679   2.469  1.00  0.00           H  
HETATM   37  H6  UNL     1      -2.319  -1.773   1.125  1.00  0.00           H  
HETATM   38  H7  UNL     1      -4.611   1.296  -1.286  1.00  0.00           H  
HETATM   39  H8  UNL     1      -7.487   0.517   1.009  1.00  0.00           H  
HETATM   40  H9  UNL     1      -0.729  -2.836   3.017  1.00  0.00           H  
HETATM   41  H10 UNL     1       1.363  -1.787   4.368  1.00  0.00           H  
HETATM   42  H11 UNL     1       3.967  -0.228   1.973  1.00  0.00           H  
HETATM   43  H12 UNL     1       3.169   1.389   1.600  1.00  0.00           H  
HETATM   44  H13 UNL     1       3.704   1.084  -0.571  1.00  0.00           H  
HETATM   45  H14 UNL     1       5.590   2.097  -1.109  1.00  0.00           H  
HETATM   46  H15 UNL     1       3.063  -2.201  -0.776  1.00  0.00           H  
HETATM   47  H16 UNL     1       2.146   1.184  -1.856  1.00  0.00           H  
HETATM   48  H17 UNL     1       1.499   2.258   0.516  1.00  0.00           H  
CONECT    1    2    2   32
CONECT    2    3   31
CONECT    3    4   33
CONECT    4    5   30   34
CONECT    5    6   15   35
CONECT    6    7   36   37
CONECT    7    8
CONECT    8    9    9   10
CONECT   10   11   38
CONECT   11   12   12   13   13
CONECT   11   14
CONECT   14   39
CONECT   15   16   17
CONECT   16   40
CONECT   17   18   18   19
CONECT   18   41
CONECT   19   20   30
CONECT   20   21   42   43
CONECT   21   22   27   44
CONECT   22   23
CONECT   23   24   24   25   25
CONECT   23   26
CONECT   26   45
CONECT   27   28   29   30
CONECT   28   46
CONECT   29   47
CONECT   30   31
CONECT   31   48
END

HMDB0033509
     RDKit          3D
Protogonyautoxin 3
 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.4447    2.6531   -1.5488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160    1.6009   -0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    0.3314   -0.8400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651   -0.5258    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -0.2768    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087   -0.6989    1.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    0.0111    0.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3978   -0.1818    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903   -1.0571    0.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1220    0.5770   -0.7332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7800    0.3477   -1.0406 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.4508    1.6620   -1.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0321   -0.6850   -2.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6022   -0.2117    0.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755   -1.0544    2.4954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -1.9183    3.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.8780    2.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962   -1.3103    3.6181 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803   -0.2130    1.5089 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2288    0.2936    1.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    0.0935   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340   -0.7992   -0.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406   -0.0981   -1.1148 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.3223   -0.9655   -2.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813    0.1565   -0.1638 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    1.3656   -1.7523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878   -0.4217   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -1.7920   -0.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    0.2191   -1.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974    0.0830    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    1.5023    0.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    2.5842   -2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699    0.0911   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -1.5924   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264    0.7857    1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292   -0.6785    2.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190   -1.7728    1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6105    1.2961   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4873    0.5168    1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287   -2.8362    3.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629   -1.7869    4.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675   -0.2281    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    1.3893    1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    1.0844   -0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    2.0972   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -2.2015   -0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462    1.1844   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    2.2583    0.5157 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  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
  5 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  3
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
 21 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 31  2  1  0
 30  4  1  0
 30 19  1  0
  1 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
 10 38  1  0
 14 39  1  0
 16 40  1  0
 18 41  1  0
 20 42  1  0
 20 43  1  0
 21 44  1  0
 26 45  1  0
 28 46  1  0
 29 47  1  0
 31 48  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
C3a Anaphylatoxin	HMDB
Toxin C3	HMDB
Toxin PX3	HMDB
N-Sulfo{[5,10,10-trihydroxy-2,6-diimino-9-(sulfooxy)-decahydropyrrolo[1,2-c]purin-4-yl]methoxy}carboximidate	Generator
N-Sulpho{[5,10,10-trihydroxy-2,6-diimino-9-(sulphooxy)-decahydropyrrolo[1,2-c]purin-4-yl]methoxy}carboximidate	Generator
N-Sulpho{[5,10,10-trihydroxy-2,6-diimino-9-(sulphooxy)-decahydropyrrolo[1,2-c]purin-4-yl]methoxy}carboximidic acid	Generator

Chemical Formula

C₁₀H₁₇N₇O₁₂S₂

Average Molecular Weight

491.412

Monoisotopic Molecular Weight

491.037660423

IUPAC Name

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

Traditional Name

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

CAS Registry Number

89614-45-9

SMILES

ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N

InChI Identifier

InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)

InChI Key

HUDHMIUZDXZZRC-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 ester
Alkyl sulfate
N-hydroxyguanidine
Sulfuric acid monoester
Sulfate-ester
Imidazolidine
Organic sulfuric acid or derivatives
Pyrrolidine
Guanidine
Carbonyl hydrate
Polyol
Azacycle
Organoheterocyclic compound
Carboximidamide
Organonitrogen compound
Hydrocarbon derivative
Imine
Organic oxide
Organooxygen compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen 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: HMDB0033509)
Cytoplasm (HMDB: HMDB0033509)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033509)

Source

Exogenous

Food

Food (HMDB: HMDB0033509)

Aquatic origin

Mollusk

Mollusks (FooDB: FOOD00868)

Endogenous

Plant

Plant (HMDB: HMDB0033509)

Animal

Animal (HMDB: HMDB0033509)

Not Available

Nutrient (HMDB: HMDB0033509)

Environmental role

Environmental contaminant (HMDB: HMDB0033509)

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	1.43 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-4.4	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	-2.1	ChemAxon
pKa (Strongest Basic)	9.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	295.23 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	112.1 m³·mol⁻¹	ChemAxon
Polarizability	39.77 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]+	203.88	31661259
DarkChem	[M-H]-	194.545	31661259
DeepCCS	[M-2H]-	232.114	30932474
DeepCCS	[M+Na]+	207.168	30932474
AllCCS	[M+H]+	196.5	32859911
AllCCS	[M+H-H2O]+	194.5	32859911
AllCCS	[M+NH4]+	198.2	32859911
AllCCS	[M+Na]+	198.8	32859911
AllCCS	[M-H]-	191.6	32859911
AllCCS	[M+Na-2H]-	191.6	32859911
AllCCS	[M+HCOO]-	191.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Protogonyautoxin 3	ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N	7307.2	Standard polar	33892256
Protogonyautoxin 3	ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N	3371.7	Standard non polar	33892256
Protogonyautoxin 3	ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N	4729.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Protogonyautoxin 3,1TMS,isomer #1	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)NC321	4500.2	Semi standard non polar	33892256
Protogonyautoxin 3,1TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4586.7	Semi standard non polar	33892256
Protogonyautoxin 3,1TMS,isomer #3	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)NC32C1(O)O	4574.6	Semi standard non polar	33892256
Protogonyautoxin 3,1TMS,isomer #4	C[Si](C)(C)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)S(=O)(=O)O	4563.1	Semi standard non polar	33892256
Protogonyautoxin 3,1TMS,isomer #5	C[Si](C)(C)N1C(=N)NC23C1C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4403.9	Semi standard non polar	33892256
Protogonyautoxin 3,1TMS,isomer #6	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4505.2	Semi standard non polar	33892256
Protogonyautoxin 3,1TMS,isomer #7	C[Si](C)(C)N1C(=N)NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4427.0	Semi standard non polar	33892256
Protogonyautoxin 3,1TMS,isomer #8	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4483.4	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #1	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)NC321	4451.2	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #10	C[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C	4535.2	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #11	C[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4421.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #12	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4487.1	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #13	C[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4426.7	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #14	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4486.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #15	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4466.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #16	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)NC32C1(O)O	4573.1	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #17	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	4403.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #18	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4477.1	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #19	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	4416.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #2	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)NC321	4499.7	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #20	C[Si](C)(C)N1C(=N)NC23C1C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4396.6	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4502.3	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #22	C[Si](C)(C)N1C(=N)NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4413.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #23	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4452.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #24	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4320.4	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #25	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4198.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #26	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4317.6	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #27	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4401.8	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #28	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4357.0	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #29	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4320.4	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #3	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4514.8	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #4	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4415.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #5	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)NC321	4501.1	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #6	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4354.3	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #7	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4423.9	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #8	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4381.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TMS,isomer #9	C[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)C(=N)N1O	4582.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,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(=O)NS(=O)(=O)O)C3NC(=N)NC321	4416.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,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(=O)NS(=O)(=O)O)C3NC(=N)NC321	4535.6	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #10	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)S(=O)(=O)O)C3NC(=N)NC321	4487.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #10	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)S(=O)(=O)O)C3NC(=N)NC321	4561.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #11	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4314.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #11	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4631.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #12	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4384.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #12	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4530.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #13	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4339.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #13	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4626.1	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #14	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4382.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #14	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4419.2	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #15	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4456.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #15	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4503.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #16	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4328.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #16	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4566.0	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #17	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4387.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #17	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4480.2	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #18	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4354.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #18	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4567.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #19	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4396.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #19	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4425.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #2	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4421.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #2	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4477.2	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #20	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4230.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #20	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4463.2	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4312.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4358.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4237.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4438.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #23	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4339.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #23	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4568.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #24	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4432.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #24	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4486.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #25	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4368.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #25	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4574.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #26	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4237.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #26	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4505.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #27	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4153.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #27	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4594.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #28	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4273.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #28	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4491.7	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #29	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC32C1(O)O	4509.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #29	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC32C1(O)O	4585.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #3	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4331.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #3	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4375.7	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #30	C[Si](C)(C)OS(=O)(=O)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	4370.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #30	C[Si](C)(C)OS(=O)(=O)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	4645.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #31	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4429.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #31	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4543.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #32	C[Si](C)(C)OS(=O)(=O)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	4388.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #32	C[Si](C)(C)OS(=O)(=O)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	4650.8	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #33	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4423.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #33	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4475.3	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #34	C[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C	4356.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #34	C[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2N([Si](C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C	4589.7	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #35	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4451.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #35	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4500.3	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #36	C[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C	4369.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #36	C[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2NC(=N)N([Si](C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C	4592.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4415.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4440.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #38	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4291.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #38	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4537.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #39	C[Si](C)(C)OS(=O)(=O)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	4161.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #39	C[Si](C)(C)OS(=O)(=O)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	4643.3	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #4	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)S(=O)(=O)O)C3NC(=N)NC321	4444.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #4	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)S(=O)(=O)O)C3NC(=N)NC321	4485.3	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4293.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4491.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4362.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4389.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #42	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4316.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #42	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4531.7	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #43	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4290.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #43	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4472.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #44	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4436.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #44	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4476.3	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #45	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4279.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #45	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4545.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #46	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4348.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #46	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4418.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4286.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4518.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #48	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	4382.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #48	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	4641.2	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #49	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4469.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #49	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4544.2	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #5	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4275.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #5	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4522.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #50	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	4401.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #50	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	4648.1	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #51	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	4277.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #51	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	4590.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #52	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4173.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #52	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4700.0	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #53	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4312.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #53	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4578.7	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #54	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4319.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #54	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4542.1	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #55	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4205.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #55	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C23C1C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4640.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #56	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4304.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #56	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4498.1	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #57	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4396.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #57	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4393.3	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #58	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4341.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #58	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4539.3	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #59	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4301.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #59	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4482.2	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #6	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4337.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #6	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4446.8	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #60	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4119.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #60	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4412.1	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4211.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4397.9	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #62	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4101.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #62	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4490.5	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4234.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4384.8	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #7	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4304.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #7	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4528.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #8	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4452.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #8	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4562.4	Standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #9	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4375.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TMS,isomer #9	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4465.3	Standard non polar	33892256
Protogonyautoxin 3,4TMS,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)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4336.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,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)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4632.0	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #10	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4267.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #10	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4572.3	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #11	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4278.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #11	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4657.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #12	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4300.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #12	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4528.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #13	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4144.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #13	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4528.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #14	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4185.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #14	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4440.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #15	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4153.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #15	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4520.7	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #16	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4280.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #16	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4654.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #17	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4335.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #17	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C23N1	4584.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #18	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4288.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #18	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4668.5	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #19	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4168.5	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #19	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4565.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #2	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4257.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #2	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4531.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #20	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4118.8	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #20	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4657.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4179.7	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4570.0	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4291.7	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #22	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4566.0	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #23	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4392.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #23	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4658.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #24	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4288.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #24	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4719.0	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #25	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4313.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #25	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4630.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #26	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4302.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #26	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4726.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #27	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4339.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #27	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4577.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4180.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4615.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #29	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4228.5	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #29	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4504.3	Standard non polar	33892256
Protogonyautoxin 3,4TMS,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(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)NC321	4379.5	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,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(=O)N([Si](C)(C)C)S(=O)(=O)O)C3NC(=N)NC321	4639.5	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #30	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4175.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #30	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4599.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #31	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4299.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #31	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4724.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #32	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4375.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #32	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O[Si](C)(C)C)C23N1	4639.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #33	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4317.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #33	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4732.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #34	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4198.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #34	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4658.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #35	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4142.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #35	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4755.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #36	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4213.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #36	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4654.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4313.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4543.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4181.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #38	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4595.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #39	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4233.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #39	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4491.7	Standard non polar	33892256
Protogonyautoxin 3,4TMS,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)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4264.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,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)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4678.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4177.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #40	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4577.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #41	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4274.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #41	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4675.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #42	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4349.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #42	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4596.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #43	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4287.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #43	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4682.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #44	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4192.8	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #44	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4635.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #45	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4124.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #45	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4726.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #46	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4198.8	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #46	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4634.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4212.7	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #47	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4605.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #48	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4296.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #48	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1	4509.0	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #49	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4216.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #49	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4591.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #5	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4273.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #5	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4599.7	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #50	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4115.8	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #50	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4490.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4031.8	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4577.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #52	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4098.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #52	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4479.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #53	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4232.7	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #53	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C)N1[Si](C)(C)C	4644.0	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #54	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4147.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #54	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4735.7	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #55	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4243.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #55	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4644.7	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #56	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4078.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #56	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4513.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #57	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4362.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #57	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4587.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #58	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	4315.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #58	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC32C1(O)O	4744.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #59	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4400.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #59	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4648.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #6	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)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4288.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #6	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)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4688.0	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #60	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	4321.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #60	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C32C1(O)O	4749.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #61	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4238.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #61	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4689.3	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #62	C[Si](C)(C)OS(=O)(=O)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	4142.8	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #62	C[Si](C)(C)OS(=O)(=O)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	4801.7	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4231.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #63	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4646.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #64	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4277.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #64	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4529.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #65	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4236.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #65	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4690.3	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4218.0	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4632.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #67	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4248.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #67	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C	4659.3	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #68	C[Si](C)(C)OS(=O)(=O)N(C(=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)[Si](C)(C)C	4122.5	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #68	C[Si](C)(C)OS(=O)(=O)N(C(=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)[Si](C)(C)C	4754.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #69	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4227.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #69	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4620.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4243.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4516.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #70	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4316.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #70	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4513.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #71	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4247.5	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #71	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4659.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #72	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4215.1	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #72	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4605.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #73	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4070.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #73	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4591.5	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #74	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4146.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #74	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4550.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #75	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4042.7	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #75	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4646.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #76	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4139.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #76	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4536.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #77	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4249.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #77	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4654.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #78	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4333.8	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #78	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1	4543.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #79	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4241.5	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #79	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4641.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #8	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4353.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #8	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4587.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #80	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4145.7	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #80	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4555.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #81	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4062.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #81	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4664.6	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #82	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4138.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #82	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4550.5	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #83	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	4263.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #83	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O)N1[Si](C)(C)C	4695.7	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #84	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4154.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #84	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4804.4	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #85	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4270.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #85	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4695.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #86	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4093.6	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #86	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4594.8	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #87	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4102.3	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #87	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4601.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #88	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4197.7	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #88	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4563.9	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #89	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4078.2	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #89	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4659.1	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #9	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4258.4	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #9	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4645.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #90	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4198.5	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #90	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4557.2	Standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #91	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	3999.9	Semi standard non polar	33892256
Protogonyautoxin 3,4TMS,isomer #91	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4431.1	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #1	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4168.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #1	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4642.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,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(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4252.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,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(=O)N([Si](C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)NC321	4809.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #11	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4254.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #11	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4738.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #12	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4241.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #12	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C)C321	4816.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #13	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4167.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #13	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4727.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #14	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)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4117.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #14	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)NS(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4817.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #15	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4162.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #15	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4730.9	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #16	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4173.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #16	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4638.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4117.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #17	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4699.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #18	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4110.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #18	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4596.5	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #19	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4120.5	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #19	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4680.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4263.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)NC321	4722.7	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #20	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)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4223.5	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #20	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)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4767.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4227.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #21	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4702.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #22	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4218.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #22	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4772.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #23	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4138.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #23	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4737.6	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #24	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4097.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #24	C[Si](C)(C)OC1(O[Si](C)(C)C)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4816.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #25	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4133.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #25	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4740.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #26	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4147.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #26	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4718.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #27	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4173.3	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #27	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4625.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4137.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #28	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O[Si](C)(C)C)O[Si](C)(C)C	4705.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #29	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4039.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #29	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4582.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,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(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4251.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,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(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4793.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #30	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	3997.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #30	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4664.9	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #31	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4027.5	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #31	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4573.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #32	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4170.6	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #32	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4753.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #33	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4116.3	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #33	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4834.6	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #34	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4156.6	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #34	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4758.5	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #35	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)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	4045.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #35	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)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	4612.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #36	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4202.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #36	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4675.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4158.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #37	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4739.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #38	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4141.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #38	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4627.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #39	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4142.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #39	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4721.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #4	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4217.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #4	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4720.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #40	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)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4242.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #40	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)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)NC321	4824.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4256.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #41	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4743.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #42	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4228.0	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #42	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)S(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4827.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #43	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4178.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #43	C[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4783.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #44	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4117.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #44	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O[Si](C)(C)C)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4883.7	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #45	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4165.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #45	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4784.6	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #46	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4169.5	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #46	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4761.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #47	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4210.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #47	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4655.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #48	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4159.5	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #48	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O[Si](C)(C)C	4744.7	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #49	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4076.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #49	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4642.5	Standard non polar	33892256
Protogonyautoxin 3,5TMS,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(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4249.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,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(=O)NS(=O)(=O)O[Si](C)(C)C)C3NC(=N)N([Si](C)(C)C)C321	4798.5	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #50	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4022.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #50	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4739.1	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4064.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #51	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4634.6	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #52	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4191.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #52	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4798.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #53	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4130.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #53	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)S(=O)(=O)O)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4894.1	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #54	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4175.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #54	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4799.7	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #55	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)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	4066.6	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #55	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)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	4680.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #56	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4147.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #56	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4730.6	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #57	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4192.0	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #57	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4628.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #58	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4133.3	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #58	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4712.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #59	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4074.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #59	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4664.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #6	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4201.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #6	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O[Si](C)(C)C)O[Si](C)(C)C	4666.9	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #60	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4011.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #60	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4751.5	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4045.3	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #61	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4649.7	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #62	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4169.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #62	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4767.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #63	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4108.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #63	C[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C321	4849.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #64	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4161.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #64	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4769.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #65	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O[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	4045.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #65	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O[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	4704.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4110.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #66	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4688.7	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #67	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4038.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #67	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4771.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #68	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4079.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #68	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C	4677.6	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #69	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	3967.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #69	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4521.5	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4128.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #7	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4685.1	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #70	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4075.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #70	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C)C23N1[Si](C)(C)C	4723.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #71	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4183.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #71	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4767.7	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #72	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4220.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #72	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4651.1	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #73	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4159.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #73	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4755.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #74	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4212.3	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #74	C[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4808.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #75	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4112.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #75	C[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C3N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C32C1(O)O	4913.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #76	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4177.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #76	C[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[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	4812.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #77	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O[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	4063.0	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #77	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)NS(=O)(=O)O[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	4748.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #78	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4107.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #78	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4690.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #79	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4038.5	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #79	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4804.9	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #8	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4121.2	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #8	C[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4582.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #80	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4088.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #80	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4688.5	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #81	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4053.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #81	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C	4736.3	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #82	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4125.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #82	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O)C3(O)O	4688.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #83	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4030.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #83	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4786.2	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #84	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4092.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #84	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O[Si](C)(C)C)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4685.8	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #85	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	3979.4	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #85	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4603.9	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #86	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4133.5	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #86	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C)C(=N[Si](C)(C)C)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4716.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #87	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4051.8	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #87	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4822.9	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #88	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4113.7	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #88	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)C2NC(=N[Si](C)(C)C)N([Si](C)(C)C)C23N1CC(OS(=O)(=O)O[Si](C)(C)C)C3(O)O	4716.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #89	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	3983.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #89	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4584.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #9	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4134.9	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #9	C[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4669.4	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #90	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4083.1	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #90	C[Si](C)(C)N=C1N([Si](C)(C)C)C2C(COC(=O)N([Si](C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C)C(O)(O)C23N1[Si](C)(C)C	4768.0	Standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #91	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4016.3	Semi standard non polar	33892256
Protogonyautoxin 3,5TMS,isomer #91	C[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C)S(=O)(=O)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	4635.6	Standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)NC321	4726.6	Semi standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4794.2	Semi standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)NC32C1(O)O	4795.2	Semi standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)S(=O)(=O)O	4781.3	Semi standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(=N)NC23C1C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4681.6	Semi standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4729.7	Semi standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C(=N)NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4688.0	Semi standard non polar	33892256
Protogonyautoxin 3,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4676.8	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,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(=O)NS(=O)(=O)O)C3NC(=N)NC321	4874.8	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C(C)(C)C	4948.8	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4893.2	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4894.4	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O	4864.3	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4863.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4862.3	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C3NC(=N)NC32C1(O)O	4981.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC32C1(O)O	4889.1	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	4904.0	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	4870.4	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,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(=O)NS(=O)(=O)O)C3NC(=N)NC321	4933.0	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N1C(=N)NC23C1C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4889.6	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4919.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N1C(=N)NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C231	4874.2	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4875.7	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	4764.7	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C23C1C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4654.7	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4781.8	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4777.8	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4757.1	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4728.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	4933.6	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4810.1	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #5	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)S(=O)(=O)O)C3NC(=N)NC321	4928.4	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4822.5	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4838.0	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4829.7	Semi standard non polar	33892256
Protogonyautoxin 3,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OS(=O)(=O)NC(=O)OCC1C2NC(=N)NC23N(CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O)C(=N)N1O	4981.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,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(=O)NS(=O)(=O)O)C3NC(=N)NC321	5072.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,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(=O)NS(=O)(=O)O)C3NC(=N)NC321	5342.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #10	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)S(=O)(=O)O)C3NC(=N)NC321	5077.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #10	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)S(=O)(=O)O)C3NC(=N)NC321	5396.9	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,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(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	5008.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,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(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	5405.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	5005.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	5330.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #13	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)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4997.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #13	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)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	5377.0	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4933.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	5258.5	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #15	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)S(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5054.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #15	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)S(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5366.6	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4999.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	5397.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4978.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	5323.0	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4972.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	5376.7	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	4943.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O[Si](C)(C)C(C)(C)C	5261.5	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #2	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)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5054.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #2	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)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5335.4	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4863.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5250.4	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4829.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	5161.0	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4819.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5207.9	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #23	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)S(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4975.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #23	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)S(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	5398.5	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	4984.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O[Si](C)(C)C(C)(C)C)C23N1	5326.7	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #25	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4962.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #25	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)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	5381.6	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4866.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	5295.2	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	4792.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1(O)C(OS(=O)(=O)O)CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C321	5340.5	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4864.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	5267.5	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC32C1(O)O	5109.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC32C1(O)O	5419.9	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4910.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5202.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OS(=O)(=O)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	5044.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OS(=O)(=O)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	5462.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	5036.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	5378.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OS(=O)(=O)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	5005.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OS(=O)(=O)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	5442.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	4989.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5305.7	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C(C)(C)C	5006.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C(C)(C)C	5425.6	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	5020.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O[Si](C)(C)C(C)(C)C)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	5355.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C(C)(C)C	4971.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OS(=O)(=O)N(C(=O)OCC1C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N(CC(OS(=O)(=O)O)C3(O)O)C(=N)N1O)[Si](C)(C)C(C)(C)C	5406.7	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4978.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O[Si](C)(C)C(C)(C)C)C2NC(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	5293.0	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	4903.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)O[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	5356.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OS(=O)(=O)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	4811.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OS(=O)(=O)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	5422.7	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,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(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C3NC(=N)NC321	5036.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,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(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C3NC(=N)NC321	5338.9	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4910.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	5310.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4856.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	5207.6	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	4884.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)O[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	5336.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	4846.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)O[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	5274.9	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5007.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2NC(=N)NC23N1CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3(O)O	5304.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4938.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5315.4	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4892.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	5214.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4881.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5272.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC32C1(O)O	5032.1	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC32C1(O)O	5455.6	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	5051.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)(O)C23N1	5376.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #5	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)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	4956.5	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #5	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)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)NC321	5330.5	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	5004.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	5440.1	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	4938.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)NS(=O)(=O)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	5364.2	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	4848.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1CN2C(=N)N(O)C(COC(=O)NS(=O)(=O)O)C3N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C32C1(O)O	5416.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4920.7	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	5334.7	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	4914.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C1NC23C(C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O)N1[Si](C)(C)C(C)(C)C	5357.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #55	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)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	4824.6	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #55	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)S(=O)(=O)O)N(O)C(=N)N2CC(OS(=O)(=O)O)C3(O)O	5422.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	4921.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2N([Si](C)(C)C(C)(C)C)C(=N)NC23N1CC(OS(=O)(=O)O)C3(O)O	5312.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	4931.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N[Si](C)(C)C(C)(C)C)N3CC(OS(=O)(=O)O)C(O)(O)C23N1	5212.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4913.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	5340.2	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	4877.8	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O)C2NC(=N)N([Si](C)(C)C(C)(C)C)C23N1CC(OS(=O)(=O)O)C3(O)O	5281.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	4936.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1NC2C(COC(=O)NS(=O)(=O)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	5266.7	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	4733.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C2C(COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1[Si](C)(C)C(C)(C)C	5186.0	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4797.4	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5185.6	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4701.9	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5243.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4767.0	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5152.5	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #7	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)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	4949.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #7	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)NS(=O)(=O)O)C3NC(=N)N([Si](C)(C)C(C)(C)C)C321	5309.3	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #8	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)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5101.2	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #8	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)NS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3NC(=N)NC321	5399.8	Standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	4959.3	Semi standard non polar	33892256
Protogonyautoxin 3,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1N(O)C(COC(=O)NS(=O)(=O)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	5264.9	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Protogonyautoxin 3 GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-2915500000-596e9a55bbad51a99b1d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Protogonyautoxin 3 GC-MS (2 TMS) - 70eV, Positive	splash10-00ds-9601431000-9d3a0bc548112932cf7f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Protogonyautoxin 3 GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Protogonyautoxin 3 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 - Protogonyautoxin 3 10V, Positive-QTOF	splash10-006x-1304900000-d00b11556fff6b61f4ad	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 20V, Positive-QTOF	splash10-0kfx-3139300000-4b35e3ccd6d89a07a3c4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 40V, Positive-QTOF	splash10-00dj-9514000000-ce4db899d1f2ab13217c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 10V, Negative-QTOF	splash10-00di-2902400000-8148bb9e624093ef1c30	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 20V, Negative-QTOF	splash10-00dl-9604200000-72157ba18cdaa8440791	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 40V, Negative-QTOF	splash10-00di-3902000000-69b1fa7346226c53b9e3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 10V, Positive-QTOF	splash10-0006-0000900000-ffe013f5de36057e27fb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 20V, Positive-QTOF	splash10-0fdo-1108900000-26364126f7bd115a8c63	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 40V, Positive-QTOF	splash10-0udi-1092000000-3c777c7282090f0d434c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 10V, Negative-QTOF	splash10-00kg-1009500000-43f16a1c21b8d81fff03	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 20V, Negative-QTOF	splash10-0002-2009000000-6c1a74dee95eb766d21a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Protogonyautoxin 3 40V, Negative-QTOF	splash10-0002-9000000000-91eea8689bdd5e06acbd	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	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

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

14608354

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

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

Showing metabocard for Protogonyautoxin 3 (HMDB0033509)

MOL for HMDB0033509 (Protogonyautoxin 3)

3D MOL for HMDB0033509 (Protogonyautoxin 3)

3D SDF for HMDB0033509 (Protogonyautoxin 3)

3D-SDF for HMDB0033509 (Protogonyautoxin 3)

PDB for HMDB0033509 (Protogonyautoxin 3)

3D PDB for HMDB0033509 (Protogonyautoxin 3)

SMILES for HMDB0033509 (Protogonyautoxin 3)

INCHI for HMDB0033509 (Protogonyautoxin 3)

Structure for HMDB0033509 (Protogonyautoxin 3)

3D Structure for HMDB0033509 (Protogonyautoxin 3)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions