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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:30:00 UTC
Update Date2022-03-07 02:52:08 UTC
HMDB IDHMDB0029368
Secondary Accession Numbers
  • HMDB29368
Metabolite Identification
Common NameSaxitoxin
DescriptionSaxitoxin is a paralytic poison from Alaska butter clams (Saxidomus giganteus), toxic mussels (Mytilus californianus), the plankton Gonyaulax cantenella and Protogonyaulax tamarensis. Causal agent of paralytic shellfish poisoning. Saxitoxin (STX) is a neurotoxin naturally produced by certain species of marine dinoflagellates (Alexandrium sp., Gymnodinium sp., Pyrodinium sp.) and cyanobacteria (Anabaena sp., some Aphanizomenon species, Cylindrospermopsis sp., Lyngbya sp., Planktothrix sp.). Ingestion of saxitoxin (usually through shellfish contaminated by toxic algal blooms) is responsible for the human illness known as paralytic shellfish poisoning (PSP). (Wikipedia
Structure
Data?1582753409
Synonyms
ValueSource
Gonyaulax catenella poisonHMDB
Mytilus californianus poisonHMDB
Saxidomus giganteus poisonHMDB
Saxitoxin (8ci)HMDB
Gonyaulax toxinHMDB
MitilotoxinHMDB
Toxin, gonyaulaxHMDB
SaxitoninHMDB
Chemical FormulaC10H17N7O4
Average Molecular Weight299.2865
Monoisotopic Molecular Weight299.134202067
IUPAC Name[(4R,10aS,10bS)-2-amino-10,10-dihydroxy-6-imino-3H,4H,5H,6H,8H,9H,10H,10bH-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Traditional Name[(4R,10aS,10bS)-2-amino-10,10-dihydroxy-6-imino-3H,4H,5H,8H,9H,10bH-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
CAS Registry Number35523-89-8
SMILES
NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]12
InChI Identifier
InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
InChI KeyRPQXVSUAYFXFJA-HGRQIUPRSA-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.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassSaxitoxins, gonyautoxins, and derivatives
Sub ClassNot Available
Direct ParentSaxitoxins, gonyautoxins, and derivatives
Alternative Parents
Substituents
  • Saxitoxin-gonyautoxin skeleton
  • Imidazopyrimidine
  • Alkaloid or derivatives
  • 1,3-diazinane
  • Imidazolidine
  • Pyrrolidine
  • Guanidine
  • Organoheterocyclic compound
  • Carboximidamide
  • Carbonyl hydrate
  • Carboximidic acid derivative
  • Azacycle
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Imine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.12 g/LALOGPS
logP-2.7ALOGPS
logP-2.8ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)10.74ChemAxon
pKa (Strongest Basic)9.89ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area182.31 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity78.13 m³·mol⁻¹ChemAxon
Polarizability28.07 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+164.75531661259
DarkChem[M-H]-164.81731661259
DeepCCS[M-2H]-199.28230932474
DeepCCS[M+Na]+174.19730932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SaxitoxinNC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]124955.7Standard polar33892256
SaxitoxinNC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]123106.0Standard non polar33892256
SaxitoxinNC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]123336.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Saxitoxin,1TMS,isomer #1C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213173.5Semi standard non polar33892256
Saxitoxin,1TMS,isomer #2C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@@H]133191.1Semi standard non polar33892256
Saxitoxin,1TMS,isomer #3C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O)O3207.6Semi standard non polar33892256
Saxitoxin,1TMS,isomer #4C[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@@H]1COC(N)=O3136.1Semi standard non polar33892256
Saxitoxin,1TMS,isomer #5C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O3077.8Semi standard non polar33892256
Saxitoxin,1TMS,isomer #6C[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(N)=O)NC(=N)N2CCC3(O)O3102.8Semi standard non polar33892256
Saxitoxin,2TMS,isomer #1C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213159.4Semi standard non polar33892256
Saxitoxin,2TMS,isomer #10C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O3112.8Semi standard non polar33892256
Saxitoxin,2TMS,isomer #11C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C)[C@@H]133139.6Semi standard non polar33892256
Saxitoxin,2TMS,isomer #12C[Si](C)(C)N(C1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O)O)[Si](C)(C)C3288.3Semi standard non polar33892256
Saxitoxin,2TMS,isomer #13C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C3127.6Semi standard non polar33892256
Saxitoxin,2TMS,isomer #14C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O3207.1Semi standard non polar33892256
Saxitoxin,2TMS,isomer #15C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O3175.5Semi standard non polar33892256
Saxitoxin,2TMS,isomer #16C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3070.5Semi standard non polar33892256
Saxitoxin,2TMS,isomer #17C[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O2992.2Semi standard non polar33892256
Saxitoxin,2TMS,isomer #18C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O3032.1Semi standard non polar33892256
Saxitoxin,2TMS,isomer #2C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@@H]133175.8Semi standard non polar33892256
Saxitoxin,2TMS,isomer #3C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O)O[Si](C)(C)C3213.6Semi standard non polar33892256
Saxitoxin,2TMS,isomer #4C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C3103.8Semi standard non polar33892256
Saxitoxin,2TMS,isomer #5C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213131.4Semi standard non polar33892256
Saxitoxin,2TMS,isomer #6C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213138.8Semi standard non polar33892256
Saxitoxin,2TMS,isomer #7C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N[C@@H]133264.8Semi standard non polar33892256
Saxitoxin,2TMS,isomer #8C[Si](C)(C)N(C(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@@H]13)[Si](C)(C)C3214.6Semi standard non polar33892256
Saxitoxin,2TMS,isomer #9C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C3149.0Semi standard non polar33892256
Saxitoxin,3TMS,isomer #1C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@@H]133153.0Semi standard non polar33892256
Saxitoxin,3TMS,isomer #1C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@@H]132699.8Standard non polar33892256
Saxitoxin,3TMS,isomer #10C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@@H]133131.7Semi standard non polar33892256
Saxitoxin,3TMS,isomer #10C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@@H]132719.9Standard non polar33892256
Saxitoxin,3TMS,isomer #11C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213283.7Semi standard non polar33892256
Saxitoxin,3TMS,isomer #11C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212838.2Standard non polar33892256
Saxitoxin,3TMS,isomer #12C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C3143.2Semi standard non polar33892256
Saxitoxin,3TMS,isomer #12C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C2732.3Standard non polar33892256
Saxitoxin,3TMS,isomer #13C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C3203.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #13C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C2876.9Standard non polar33892256
Saxitoxin,3TMS,isomer #14C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3169.7Semi standard non polar33892256
Saxitoxin,3TMS,isomer #14C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2734.6Standard non polar33892256
Saxitoxin,3TMS,isomer #15C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3047.4Semi standard non polar33892256
Saxitoxin,3TMS,isomer #15C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2631.6Standard non polar33892256
Saxitoxin,3TMS,isomer #16C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C3022.7Semi standard non polar33892256
Saxitoxin,3TMS,isomer #16C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C2626.7Standard non polar33892256
Saxitoxin,3TMS,isomer #17C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213012.8Semi standard non polar33892256
Saxitoxin,3TMS,isomer #17C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3212789.8Standard non polar33892256
Saxitoxin,3TMS,isomer #18C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O3276.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #18C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O2934.4Standard non polar33892256
Saxitoxin,3TMS,isomer #19C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C3248.8Semi standard non polar33892256
Saxitoxin,3TMS,isomer #19C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C2898.6Standard non polar33892256
Saxitoxin,3TMS,isomer #2C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C3227.2Semi standard non polar33892256
Saxitoxin,3TMS,isomer #2C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C2755.3Standard non polar33892256
Saxitoxin,3TMS,isomer #20C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O3200.5Semi standard non polar33892256
Saxitoxin,3TMS,isomer #20C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O2774.1Standard non polar33892256
Saxitoxin,3TMS,isomer #21C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]133326.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #21C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]132867.3Standard non polar33892256
Saxitoxin,3TMS,isomer #22C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@@H]133148.3Semi standard non polar33892256
Saxitoxin,3TMS,isomer #22C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@@H]132761.7Standard non polar33892256
Saxitoxin,3TMS,isomer #23C[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C)[Si](C)(C)C3115.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #23C[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C)[Si](C)(C)C2916.7Standard non polar33892256
Saxitoxin,3TMS,isomer #24C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O3109.9Semi standard non polar33892256
Saxitoxin,3TMS,isomer #24C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O2845.8Standard non polar33892256
Saxitoxin,3TMS,isomer #25C[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O3085.4Semi standard non polar33892256
Saxitoxin,3TMS,isomer #25C[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O2842.5Standard non polar33892256
Saxitoxin,3TMS,isomer #26C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C3019.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #26C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C2789.7Standard non polar33892256
Saxitoxin,3TMS,isomer #27C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3077.7Semi standard non polar33892256
Saxitoxin,3TMS,isomer #27C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2688.1Standard non polar33892256
Saxitoxin,3TMS,isomer #28C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O3031.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #28C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O2670.7Standard non polar33892256
Saxitoxin,3TMS,isomer #29C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)NC(=N)N2CCC3(O)O3093.3Semi standard non polar33892256
Saxitoxin,3TMS,isomer #29C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)NC(=N)N2CCC3(O)O2770.0Standard non polar33892256
Saxitoxin,3TMS,isomer #3C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3108.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #3C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2620.7Standard non polar33892256
Saxitoxin,3TMS,isomer #30C[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@@H]1COC(N)=O3184.6Semi standard non polar33892256
Saxitoxin,3TMS,isomer #30C[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@@H]1COC(N)=O2985.8Standard non polar33892256
Saxitoxin,3TMS,isomer #31C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O3182.7Semi standard non polar33892256
Saxitoxin,3TMS,isomer #31C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O2870.7Standard non polar33892256
Saxitoxin,3TMS,isomer #32C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C3053.3Semi standard non polar33892256
Saxitoxin,3TMS,isomer #32C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C2810.5Standard non polar33892256
Saxitoxin,3TMS,isomer #33C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O3030.5Semi standard non polar33892256
Saxitoxin,3TMS,isomer #33C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O2686.3Standard non polar33892256
Saxitoxin,3TMS,isomer #34C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3114.8Semi standard non polar33892256
Saxitoxin,3TMS,isomer #34C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2762.6Standard non polar33892256
Saxitoxin,3TMS,isomer #35C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2931.3Semi standard non polar33892256
Saxitoxin,3TMS,isomer #35C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2652.5Standard non polar33892256
Saxitoxin,3TMS,isomer #4C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213133.3Semi standard non polar33892256
Saxitoxin,3TMS,isomer #4C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3212774.7Standard non polar33892256
Saxitoxin,3TMS,isomer #5C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213126.2Semi standard non polar33892256
Saxitoxin,3TMS,isomer #5C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3212697.4Standard non polar33892256
Saxitoxin,3TMS,isomer #6C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@@H]133251.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #6C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@@H]132803.4Standard non polar33892256
Saxitoxin,3TMS,isomer #7C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3213176.8Semi standard non polar33892256
Saxitoxin,3TMS,isomer #7C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3212827.5Standard non polar33892256
Saxitoxin,3TMS,isomer #8C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3135.5Semi standard non polar33892256
Saxitoxin,3TMS,isomer #8C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2811.1Standard non polar33892256
Saxitoxin,3TMS,isomer #9C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C3115.1Semi standard non polar33892256
Saxitoxin,3TMS,isomer #9C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C2653.9Standard non polar33892256
Saxitoxin,4TMS,isomer #1C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@@H]133241.9Semi standard non polar33892256
Saxitoxin,4TMS,isomer #1C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@@H]132827.1Standard non polar33892256
Saxitoxin,4TMS,isomer #10C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3042.1Semi standard non polar33892256
Saxitoxin,4TMS,isomer #10C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2613.7Standard non polar33892256
Saxitoxin,4TMS,isomer #11C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3027.1Semi standard non polar33892256
Saxitoxin,4TMS,isomer #11C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2619.1Standard non polar33892256
Saxitoxin,4TMS,isomer #12C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213045.4Semi standard non polar33892256
Saxitoxin,4TMS,isomer #12C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3212810.9Standard non polar33892256
Saxitoxin,4TMS,isomer #13C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C3238.0Semi standard non polar33892256
Saxitoxin,4TMS,isomer #13C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C2906.1Standard non polar33892256
Saxitoxin,4TMS,isomer #14C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3229.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #14C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2916.2Standard non polar33892256
Saxitoxin,4TMS,isomer #15C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3189.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #15C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2760.9Standard non polar33892256
Saxitoxin,4TMS,isomer #16C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]133293.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #16C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]132827.9Standard non polar33892256
Saxitoxin,4TMS,isomer #17C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@@H]133151.6Semi standard non polar33892256
Saxitoxin,4TMS,isomer #17C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@@H]132776.1Standard non polar33892256
Saxitoxin,4TMS,isomer #18C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C3080.3Semi standard non polar33892256
Saxitoxin,4TMS,isomer #18C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C2786.1Standard non polar33892256
Saxitoxin,4TMS,isomer #19C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3213105.2Semi standard non polar33892256
Saxitoxin,4TMS,isomer #19C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3212921.9Standard non polar33892256
Saxitoxin,4TMS,isomer #2C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3213154.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #2C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3212815.5Standard non polar33892256
Saxitoxin,4TMS,isomer #20C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213094.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #20C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3212834.4Standard non polar33892256
Saxitoxin,4TMS,isomer #21C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3046.4Semi standard non polar33892256
Saxitoxin,4TMS,isomer #21C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2831.5Standard non polar33892256
Saxitoxin,4TMS,isomer #22C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3060.1Semi standard non polar33892256
Saxitoxin,4TMS,isomer #22C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2670.7Standard non polar33892256
Saxitoxin,4TMS,isomer #23C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C3029.2Semi standard non polar33892256
Saxitoxin,4TMS,isomer #23C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C2663.5Standard non polar33892256
Saxitoxin,4TMS,isomer #24C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3160.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #24C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2803.9Standard non polar33892256
Saxitoxin,4TMS,isomer #25C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213180.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #25C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212942.1Standard non polar33892256
Saxitoxin,4TMS,isomer #26C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213106.1Semi standard non polar33892256
Saxitoxin,4TMS,isomer #26C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212755.6Standard non polar33892256
Saxitoxin,4TMS,isomer #27C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C3069.2Semi standard non polar33892256
Saxitoxin,4TMS,isomer #27C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C2838.6Standard non polar33892256
Saxitoxin,4TMS,isomer #28C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3036.3Semi standard non polar33892256
Saxitoxin,4TMS,isomer #28C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2661.7Standard non polar33892256
Saxitoxin,4TMS,isomer #29C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3108.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #29C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2719.4Standard non polar33892256
Saxitoxin,4TMS,isomer #3C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3118.6Semi standard non polar33892256
Saxitoxin,4TMS,isomer #3C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2826.2Standard non polar33892256
Saxitoxin,4TMS,isomer #30C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2955.6Semi standard non polar33892256
Saxitoxin,4TMS,isomer #30C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2621.2Standard non polar33892256
Saxitoxin,4TMS,isomer #31C[Si](C)(C)N(C(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]13)[Si](C)(C)C3248.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #31C[Si](C)(C)N(C(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]13)[Si](C)(C)C2994.2Standard non polar33892256
Saxitoxin,4TMS,isomer #32C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C3121.4Semi standard non polar33892256
Saxitoxin,4TMS,isomer #32C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C2861.3Standard non polar33892256
Saxitoxin,4TMS,isomer #33C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O3194.6Semi standard non polar33892256
Saxitoxin,4TMS,isomer #33C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O3000.1Standard non polar33892256
Saxitoxin,4TMS,isomer #34C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O3164.0Semi standard non polar33892256
Saxitoxin,4TMS,isomer #34C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O2914.6Standard non polar33892256
Saxitoxin,4TMS,isomer #35C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C3085.9Semi standard non polar33892256
Saxitoxin,4TMS,isomer #35C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C2870.8Standard non polar33892256
Saxitoxin,4TMS,isomer #36C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C3214.9Semi standard non polar33892256
Saxitoxin,4TMS,isomer #36C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C2966.8Standard non polar33892256
Saxitoxin,4TMS,isomer #37C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3164.3Semi standard non polar33892256
Saxitoxin,4TMS,isomer #37C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2788.9Standard non polar33892256
Saxitoxin,4TMS,isomer #38C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O3055.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #38C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O2725.9Standard non polar33892256
Saxitoxin,4TMS,isomer #39C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O3189.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #39C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O2853.2Standard non polar33892256
Saxitoxin,4TMS,isomer #4C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3089.5Semi standard non polar33892256
Saxitoxin,4TMS,isomer #4C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2666.4Standard non polar33892256
Saxitoxin,4TMS,isomer #40C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@@H]133122.9Semi standard non polar33892256
Saxitoxin,4TMS,isomer #40C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@@H]132797.6Standard non polar33892256
Saxitoxin,4TMS,isomer #41C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3031.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #41C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2815.8Standard non polar33892256
Saxitoxin,4TMS,isomer #42C[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O3005.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #42C[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O2920.1Standard non polar33892256
Saxitoxin,4TMS,isomer #43C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O3002.2Semi standard non polar33892256
Saxitoxin,4TMS,isomer #43C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O2801.3Standard non polar33892256
Saxitoxin,4TMS,isomer #44C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2965.4Semi standard non polar33892256
Saxitoxin,4TMS,isomer #44C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2688.3Standard non polar33892256
Saxitoxin,4TMS,isomer #45C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O3013.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #45C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O)O2869.0Standard non polar33892256
Saxitoxin,4TMS,isomer #46C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O3000.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #46C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O2712.4Standard non polar33892256
Saxitoxin,4TMS,isomer #47C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3081.2Semi standard non polar33892256
Saxitoxin,4TMS,isomer #47C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2850.0Standard non polar33892256
Saxitoxin,4TMS,isomer #48C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2963.0Semi standard non polar33892256
Saxitoxin,4TMS,isomer #48C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2682.3Standard non polar33892256
Saxitoxin,4TMS,isomer #5C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@@H]133110.7Semi standard non polar33892256
Saxitoxin,4TMS,isomer #5C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@@H]132745.1Standard non polar33892256
Saxitoxin,4TMS,isomer #6C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213267.2Semi standard non polar33892256
Saxitoxin,4TMS,isomer #6C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212806.0Standard non polar33892256
Saxitoxin,4TMS,isomer #7C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C3158.0Semi standard non polar33892256
Saxitoxin,4TMS,isomer #7C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C2752.6Standard non polar33892256
Saxitoxin,4TMS,isomer #8C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C3198.0Semi standard non polar33892256
Saxitoxin,4TMS,isomer #8C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C2879.6Standard non polar33892256
Saxitoxin,4TMS,isomer #9C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3158.8Semi standard non polar33892256
Saxitoxin,4TMS,isomer #9C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2726.9Standard non polar33892256
Saxitoxin,5TMS,isomer #1C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C3216.9Semi standard non polar33892256
Saxitoxin,5TMS,isomer #1C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C2917.8Standard non polar33892256
Saxitoxin,5TMS,isomer #10C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3038.9Semi standard non polar33892256
Saxitoxin,5TMS,isomer #10C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2684.9Standard non polar33892256
Saxitoxin,5TMS,isomer #11C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3039.9Semi standard non polar33892256
Saxitoxin,5TMS,isomer #11C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2682.8Standard non polar33892256
Saxitoxin,5TMS,isomer #12C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3196.3Semi standard non polar33892256
Saxitoxin,5TMS,isomer #12C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2773.4Standard non polar33892256
Saxitoxin,5TMS,isomer #13C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213212.3Semi standard non polar33892256
Saxitoxin,5TMS,isomer #13C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212909.2Standard non polar33892256
Saxitoxin,5TMS,isomer #14C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213152.0Semi standard non polar33892256
Saxitoxin,5TMS,isomer #14C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212773.5Standard non polar33892256
Saxitoxin,5TMS,isomer #15C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C3115.5Semi standard non polar33892256
Saxitoxin,5TMS,isomer #15C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C2849.8Standard non polar33892256
Saxitoxin,5TMS,isomer #16C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3059.5Semi standard non polar33892256
Saxitoxin,5TMS,isomer #16C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2661.4Standard non polar33892256
Saxitoxin,5TMS,isomer #17C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3096.3Semi standard non polar33892256
Saxitoxin,5TMS,isomer #17C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2697.8Standard non polar33892256
Saxitoxin,5TMS,isomer #18C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2993.2Semi standard non polar33892256
Saxitoxin,5TMS,isomer #18C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2613.0Standard non polar33892256
Saxitoxin,5TMS,isomer #19C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213263.8Semi standard non polar33892256
Saxitoxin,5TMS,isomer #19C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212938.2Standard non polar33892256
Saxitoxin,5TMS,isomer #2C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3207.8Semi standard non polar33892256
Saxitoxin,5TMS,isomer #2C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2935.1Standard non polar33892256
Saxitoxin,5TMS,isomer #20C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C3146.4Semi standard non polar33892256
Saxitoxin,5TMS,isomer #20C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C2856.5Standard non polar33892256
Saxitoxin,5TMS,isomer #21C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C3186.8Semi standard non polar33892256
Saxitoxin,5TMS,isomer #21C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C3003.2Standard non polar33892256
Saxitoxin,5TMS,isomer #22C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3144.3Semi standard non polar33892256
Saxitoxin,5TMS,isomer #22C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2879.0Standard non polar33892256
Saxitoxin,5TMS,isomer #23C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3113.5Semi standard non polar33892256
Saxitoxin,5TMS,isomer #23C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2884.9Standard non polar33892256
Saxitoxin,5TMS,isomer #24C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3219.7Semi standard non polar33892256
Saxitoxin,5TMS,isomer #24C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2949.8Standard non polar33892256
Saxitoxin,5TMS,isomer #25C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3128.7Semi standard non polar33892256
Saxitoxin,5TMS,isomer #25C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2776.0Standard non polar33892256
Saxitoxin,5TMS,isomer #26C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3051.3Semi standard non polar33892256
Saxitoxin,5TMS,isomer #26C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2726.4Standard non polar33892256
Saxitoxin,5TMS,isomer #27C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3183.3Semi standard non polar33892256
Saxitoxin,5TMS,isomer #27C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2822.5Standard non polar33892256
Saxitoxin,5TMS,isomer #28C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@@H]133142.7Semi standard non polar33892256
Saxitoxin,5TMS,isomer #28C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@@H]132796.7Standard non polar33892256
Saxitoxin,5TMS,isomer #29C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3032.6Semi standard non polar33892256
Saxitoxin,5TMS,isomer #29C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2778.4Standard non polar33892256
Saxitoxin,5TMS,isomer #3C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3153.5Semi standard non polar33892256
Saxitoxin,5TMS,isomer #3C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2787.6Standard non polar33892256
Saxitoxin,5TMS,isomer #30C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C3015.1Semi standard non polar33892256
Saxitoxin,5TMS,isomer #30C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C2774.7Standard non polar33892256
Saxitoxin,5TMS,isomer #31C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213044.0Semi standard non polar33892256
Saxitoxin,5TMS,isomer #31C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3212930.4Standard non polar33892256
Saxitoxin,5TMS,isomer #32C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2988.5Semi standard non polar33892256
Saxitoxin,5TMS,isomer #32C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2684.2Standard non polar33892256
Saxitoxin,5TMS,isomer #33C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3105.8Semi standard non polar33892256
Saxitoxin,5TMS,isomer #33C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2778.0Standard non polar33892256
Saxitoxin,5TMS,isomer #34C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3030.6Semi standard non polar33892256
Saxitoxin,5TMS,isomer #34C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2684.0Standard non polar33892256
Saxitoxin,5TMS,isomer #35C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213049.5Semi standard non polar33892256
Saxitoxin,5TMS,isomer #35C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212869.7Standard non polar33892256
Saxitoxin,5TMS,isomer #36C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2996.1Semi standard non polar33892256
Saxitoxin,5TMS,isomer #36C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2660.7Standard non polar33892256
Saxitoxin,5TMS,isomer #37C[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C)[Si](C)(C)C3206.7Semi standard non polar33892256
Saxitoxin,5TMS,isomer #37C[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C)[Si](C)(C)C3066.9Standard non polar33892256
Saxitoxin,5TMS,isomer #38C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O3166.4Semi standard non polar33892256
Saxitoxin,5TMS,isomer #38C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O2984.5Standard non polar33892256
Saxitoxin,5TMS,isomer #39C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O3123.1Semi standard non polar33892256
Saxitoxin,5TMS,isomer #39C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O)O2894.7Standard non polar33892256
Saxitoxin,5TMS,isomer #4C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]133277.0Semi standard non polar33892256
Saxitoxin,5TMS,isomer #4C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@@H]132844.2Standard non polar33892256
Saxitoxin,5TMS,isomer #40C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C3086.9Semi standard non polar33892256
Saxitoxin,5TMS,isomer #40C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C2960.6Standard non polar33892256
Saxitoxin,5TMS,isomer #41C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O3047.7Semi standard non polar33892256
Saxitoxin,5TMS,isomer #41C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O2834.1Standard non polar33892256
Saxitoxin,5TMS,isomer #42C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3097.8Semi standard non polar33892256
Saxitoxin,5TMS,isomer #42C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2895.3Standard non polar33892256
Saxitoxin,5TMS,isomer #43C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C3080.8Semi standard non polar33892256
Saxitoxin,5TMS,isomer #43C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C2910.6Standard non polar33892256
Saxitoxin,5TMS,isomer #44C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3013.1Semi standard non polar33892256
Saxitoxin,5TMS,isomer #44C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2750.9Standard non polar33892256
Saxitoxin,5TMS,isomer #45C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3132.6Semi standard non polar33892256
Saxitoxin,5TMS,isomer #45C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2856.4Standard non polar33892256
Saxitoxin,5TMS,isomer #46C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O3049.4Semi standard non polar33892256
Saxitoxin,5TMS,isomer #46C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O2749.4Standard non polar33892256
Saxitoxin,5TMS,isomer #47C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2964.2Semi standard non polar33892256
Saxitoxin,5TMS,isomer #47C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2800.2Standard non polar33892256
Saxitoxin,5TMS,isomer #48C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2971.1Semi standard non polar33892256
Saxitoxin,5TMS,isomer #48C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2733.4Standard non polar33892256
Saxitoxin,5TMS,isomer #5C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@@H]133156.2Semi standard non polar33892256
Saxitoxin,5TMS,isomer #5C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@@H]132823.3Standard non polar33892256
Saxitoxin,5TMS,isomer #6C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3088.6Semi standard non polar33892256
Saxitoxin,5TMS,isomer #6C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2776.8Standard non polar33892256
Saxitoxin,5TMS,isomer #7C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3213118.3Semi standard non polar33892256
Saxitoxin,5TMS,isomer #7C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N)=N[C@@]3212924.5Standard non polar33892256
Saxitoxin,5TMS,isomer #8C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213114.4Semi standard non polar33892256
Saxitoxin,5TMS,isomer #8C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3212836.9Standard non polar33892256
Saxitoxin,5TMS,isomer #9C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3080.9Semi standard non polar33892256
Saxitoxin,5TMS,isomer #9C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2854.7Standard non polar33892256
Saxitoxin,6TMS,isomer #1C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213286.7Semi standard non polar33892256
Saxitoxin,6TMS,isomer #1C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212935.3Standard non polar33892256
Saxitoxin,6TMS,isomer #10C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@@H]133181.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #10C[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@@H]132840.5Standard non polar33892256
Saxitoxin,6TMS,isomer #11C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3076.5Semi standard non polar33892256
Saxitoxin,6TMS,isomer #11C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2794.6Standard non polar33892256
Saxitoxin,6TMS,isomer #12C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3069.1Semi standard non polar33892256
Saxitoxin,6TMS,isomer #12C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2788.4Standard non polar33892256
Saxitoxin,6TMS,isomer #13C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3213105.0Semi standard non polar33892256
Saxitoxin,6TMS,isomer #13C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N)=N[C@@]3212942.3Standard non polar33892256
Saxitoxin,6TMS,isomer #14C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3038.7Semi standard non polar33892256
Saxitoxin,6TMS,isomer #14C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2712.2Standard non polar33892256
Saxitoxin,6TMS,isomer #15C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3147.0Semi standard non polar33892256
Saxitoxin,6TMS,isomer #15C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2745.9Standard non polar33892256
Saxitoxin,6TMS,isomer #16C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3090.9Semi standard non polar33892256
Saxitoxin,6TMS,isomer #16C[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2689.7Standard non polar33892256
Saxitoxin,6TMS,isomer #17C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213116.7Semi standard non polar33892256
Saxitoxin,6TMS,isomer #17C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212885.1Standard non polar33892256
Saxitoxin,6TMS,isomer #18C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3054.7Semi standard non polar33892256
Saxitoxin,6TMS,isomer #18C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2672.1Standard non polar33892256
Saxitoxin,6TMS,isomer #19C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3189.5Semi standard non polar33892256
Saxitoxin,6TMS,isomer #19C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2935.0Standard non polar33892256
Saxitoxin,6TMS,isomer #2C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C3181.7Semi standard non polar33892256
Saxitoxin,6TMS,isomer #2C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C2888.8Standard non polar33892256
Saxitoxin,6TMS,isomer #20C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213224.3Semi standard non polar33892256
Saxitoxin,6TMS,isomer #20C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213031.5Standard non polar33892256
Saxitoxin,6TMS,isomer #21C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213169.2Semi standard non polar33892256
Saxitoxin,6TMS,isomer #21C[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212896.8Standard non polar33892256
Saxitoxin,6TMS,isomer #22C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C3129.0Semi standard non polar33892256
Saxitoxin,6TMS,isomer #22C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C)N1[Si](C)(C)C2966.6Standard non polar33892256
Saxitoxin,6TMS,isomer #23C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3075.9Semi standard non polar33892256
Saxitoxin,6TMS,isomer #23C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2829.9Standard non polar33892256
Saxitoxin,6TMS,isomer #24C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3111.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #24C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2878.2Standard non polar33892256
Saxitoxin,6TMS,isomer #25C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3123.1Semi standard non polar33892256
Saxitoxin,6TMS,isomer #25C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2922.3Standard non polar33892256
Saxitoxin,6TMS,isomer #26C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3059.8Semi standard non polar33892256
Saxitoxin,6TMS,isomer #26C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2763.7Standard non polar33892256
Saxitoxin,6TMS,isomer #27C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3152.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #27C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2831.6Standard non polar33892256
Saxitoxin,6TMS,isomer #28C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3073.9Semi standard non polar33892256
Saxitoxin,6TMS,isomer #28C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2751.6Standard non polar33892256
Saxitoxin,6TMS,isomer #29C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3010.2Semi standard non polar33892256
Saxitoxin,6TMS,isomer #29C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2790.9Standard non polar33892256
Saxitoxin,6TMS,isomer #3C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C3206.1Semi standard non polar33892256
Saxitoxin,6TMS,isomer #3C[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C3014.2Standard non polar33892256
Saxitoxin,6TMS,isomer #30C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3023.9Semi standard non polar33892256
Saxitoxin,6TMS,isomer #30C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2714.6Standard non polar33892256
Saxitoxin,6TMS,isomer #31C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3132.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #31C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2960.6Standard non polar33892256
Saxitoxin,6TMS,isomer #32C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O3104.0Semi standard non polar33892256
Saxitoxin,6TMS,isomer #32C[Si](C)(C)N1C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O)O3000.3Standard non polar33892256
Saxitoxin,6TMS,isomer #33C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O3075.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #33C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O2861.2Standard non polar33892256
Saxitoxin,6TMS,isomer #34C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3042.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #34C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2857.9Standard non polar33892256
Saxitoxin,6TMS,isomer #35C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3047.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #35C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2803.3Standard non polar33892256
Saxitoxin,6TMS,isomer #4C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3161.8Semi standard non polar33892256
Saxitoxin,6TMS,isomer #4C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2891.4Standard non polar33892256
Saxitoxin,6TMS,isomer #5C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3169.0Semi standard non polar33892256
Saxitoxin,6TMS,isomer #5C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2927.4Standard non polar33892256
Saxitoxin,6TMS,isomer #6C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3250.1Semi standard non polar33892256
Saxitoxin,6TMS,isomer #6C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2952.3Standard non polar33892256
Saxitoxin,6TMS,isomer #7C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3113.3Semi standard non polar33892256
Saxitoxin,6TMS,isomer #7C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2802.0Standard non polar33892256
Saxitoxin,6TMS,isomer #8C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3090.7Semi standard non polar33892256
Saxitoxin,6TMS,isomer #8C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2758.7Standard non polar33892256
Saxitoxin,6TMS,isomer #9C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3211.6Semi standard non polar33892256
Saxitoxin,6TMS,isomer #9C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2833.9Standard non polar33892256
Saxitoxin,7TMS,isomer #1C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3240.8Semi standard non polar33892256
Saxitoxin,7TMS,isomer #1C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2937.1Standard non polar33892256
Saxitoxin,7TMS,isomer #10C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3134.6Semi standard non polar33892256
Saxitoxin,7TMS,isomer #10C[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2787.6Standard non polar33892256
Saxitoxin,7TMS,isomer #11C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3095.7Semi standard non polar33892256
Saxitoxin,7TMS,isomer #11C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2828.3Standard non polar33892256
Saxitoxin,7TMS,isomer #12C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C3097.4Semi standard non polar33892256
Saxitoxin,7TMS,isomer #12C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C2733.1Standard non polar33892256
Saxitoxin,7TMS,isomer #13C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3166.2Semi standard non polar33892256
Saxitoxin,7TMS,isomer #13C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2934.0Standard non polar33892256
Saxitoxin,7TMS,isomer #14C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C3116.2Semi standard non polar33892256
Saxitoxin,7TMS,isomer #14C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C2864.3Standard non polar33892256
Saxitoxin,7TMS,isomer #15C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213156.2Semi standard non polar33892256
Saxitoxin,7TMS,isomer #15C[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213014.6Standard non polar33892256
Saxitoxin,7TMS,isomer #16C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3101.3Semi standard non polar33892256
Saxitoxin,7TMS,isomer #16C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2869.6Standard non polar33892256
Saxitoxin,7TMS,isomer #17C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3101.3Semi standard non polar33892256
Saxitoxin,7TMS,isomer #17C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2816.9Standard non polar33892256
Saxitoxin,7TMS,isomer #18C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3104.1Semi standard non polar33892256
Saxitoxin,7TMS,isomer #18C[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2914.5Standard non polar33892256
Saxitoxin,7TMS,isomer #2C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213276.6Semi standard non polar33892256
Saxitoxin,7TMS,isomer #2C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3NC(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213035.5Standard non polar33892256
Saxitoxin,7TMS,isomer #3C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213221.1Semi standard non polar33892256
Saxitoxin,7TMS,isomer #3C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3212941.5Standard non polar33892256
Saxitoxin,7TMS,isomer #4C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C3199.1Semi standard non polar33892256
Saxitoxin,7TMS,isomer #4C[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C3000.2Standard non polar33892256
Saxitoxin,7TMS,isomer #5C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3138.6Semi standard non polar33892256
Saxitoxin,7TMS,isomer #5C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2861.3Standard non polar33892256
Saxitoxin,7TMS,isomer #6C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3149.7Semi standard non polar33892256
Saxitoxin,7TMS,isomer #6C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2909.5Standard non polar33892256
Saxitoxin,7TMS,isomer #7C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C3191.9Semi standard non polar33892256
Saxitoxin,7TMS,isomer #7C[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C)O[Si](C)(C)C)C(=N)N1[Si](C)(C)C2962.0Standard non polar33892256
Saxitoxin,7TMS,isomer #8C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3120.6Semi standard non polar33892256
Saxitoxin,7TMS,isomer #8C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2797.4Standard non polar33892256
Saxitoxin,7TMS,isomer #9C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3178.9Semi standard non polar33892256
Saxitoxin,7TMS,isomer #9C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2849.0Standard non polar33892256
Saxitoxin,8TMS,isomer #1C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3224.1Semi standard non polar33892256
Saxitoxin,8TMS,isomer #1C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2951.2Standard non polar33892256
Saxitoxin,8TMS,isomer #2C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C3179.5Semi standard non polar33892256
Saxitoxin,8TMS,isomer #2C[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C)O[Si](C)(C)C2903.3Standard non polar33892256
Saxitoxin,8TMS,isomer #3C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213231.2Semi standard non polar33892256
Saxitoxin,8TMS,isomer #3C[Si](C)(C)OC1(O[Si](C)(C)C)CCN2C(=N)N([Si](C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]3N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N[C@@]3213062.5Standard non polar33892256
Saxitoxin,8TMS,isomer #4C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3181.2Semi standard non polar33892256
Saxitoxin,8TMS,isomer #4C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2909.9Standard non polar33892256
Saxitoxin,8TMS,isomer #5C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C3176.5Semi standard non polar33892256
Saxitoxin,8TMS,isomer #5C[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C)N1[Si](C)(C)C2857.8Standard non polar33892256
Saxitoxin,8TMS,isomer #6C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3156.7Semi standard non polar33892256
Saxitoxin,8TMS,isomer #6C[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C)[C@@]23N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2934.0Standard non polar33892256
Saxitoxin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213352.6Semi standard non polar33892256
Saxitoxin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@@H]133438.9Semi standard non polar33892256
Saxitoxin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O)O3450.4Semi standard non polar33892256
Saxitoxin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@@H]1COC(N)=O3313.4Semi standard non polar33892256
Saxitoxin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O3334.2Semi standard non polar33892256
Saxitoxin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(N)=O)NC(=N)N2CCC3(O)O3329.1Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213506.5Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O3563.6Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@@H]133578.6Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O)O)[Si](C)(C)C(C)(C)C3610.8Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C3527.1Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3580.6Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3577.4Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3436.0Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3406.9Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O3448.7Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@@H]133609.5Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C3615.9Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3489.2Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213487.5Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213506.4Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@@H]133722.5Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@@H]13)[Si](C)(C)C(C)(C)C3580.4Semi standard non polar33892256
Saxitoxin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3565.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@@H]133739.3Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@@H]133359.3Standard non polar33892256
Saxitoxin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@@H]133729.0Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@@H]133368.3Standard non polar33892256
Saxitoxin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213772.4Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213472.9Standard non polar33892256
Saxitoxin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3710.4Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3360.3Standard non polar33892256
Saxitoxin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C3748.7Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C3550.5Standard non polar33892256
Saxitoxin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3720.0Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3382.1Standard non polar33892256
Saxitoxin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3581.3Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3350.6Standard non polar33892256
Saxitoxin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3613.1Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3304.9Standard non polar33892256
Saxitoxin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213593.5Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213491.4Standard non polar33892256
Saxitoxin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O3842.0Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O3564.3Standard non polar33892256
Saxitoxin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3811.9Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3534.8Standard non polar33892256
Saxitoxin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3771.0Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3411.0Standard non polar33892256
Saxitoxin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3780.3Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3385.6Standard non polar33892256
Saxitoxin,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]133846.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]133457.8Standard non polar33892256
Saxitoxin,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133764.9Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133323.8Standard non polar33892256
Saxitoxin,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3699.1Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3590.4Standard non polar33892256
Saxitoxin,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O3676.3Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O3550.4Standard non polar33892256
Saxitoxin,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O3699.4Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O3514.8Standard non polar33892256
Saxitoxin,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3630.8Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3454.2Standard non polar33892256
Saxitoxin,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3643.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3376.7Standard non polar33892256
Saxitoxin,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O3648.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O3293.4Standard non polar33892256
Saxitoxin,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)N1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)NC(=N)N2CCC3(O)O3655.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)N1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)NC(=N)N2CCC3(O)O3418.5Standard non polar33892256
Saxitoxin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3630.8Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3320.8Standard non polar33892256
Saxitoxin,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@@H]1COC(N)=O3711.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@@H]1COC(N)=O3605.8Standard non polar33892256
Saxitoxin,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3689.3Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3503.2Standard non polar33892256
Saxitoxin,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C3621.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C3435.8Standard non polar33892256
Saxitoxin,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3623.7Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3274.4Standard non polar33892256
Saxitoxin,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3660.9Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3423.6Standard non polar33892256
Saxitoxin,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3516.4Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3353.1Standard non polar33892256
Saxitoxin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213643.5Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N)=N[C@@]3213492.5Standard non polar33892256
Saxitoxin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213649.9Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213377.1Standard non polar33892256
Saxitoxin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@@H]133850.3Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@@H]133416.2Standard non polar33892256
Saxitoxin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213750.9Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213514.6Standard non polar33892256
Saxitoxin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3709.2Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3493.7Standard non polar33892256
Saxitoxin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3695.9Semi standard non polar33892256
Saxitoxin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3309.5Standard non polar33892256
Saxitoxin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@@H]133950.4Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@@H]133544.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3710.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3474.7Standard non polar33892256
Saxitoxin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3775.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3440.8Standard non polar33892256
Saxitoxin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213754.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213646.7Standard non polar33892256
Saxitoxin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C3953.3Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C3679.0Standard non polar33892256
Saxitoxin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3907.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3675.4Standard non polar33892256
Saxitoxin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3874.1Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3486.7Standard non polar33892256
Saxitoxin,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]133947.8Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]133562.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133900.4Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133486.8Standard non polar33892256
Saxitoxin,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3816.6Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3629.3Standard non polar33892256
Saxitoxin,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213816.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213750.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213855.3Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213629.2Standard non polar33892256
Saxitoxin,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213858.0Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213656.0Standard non polar33892256
Saxitoxin,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3780.6Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3632.1Standard non polar33892256
Saxitoxin,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3747.4Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3489.0Standard non polar33892256
Saxitoxin,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3789.7Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3425.2Standard non polar33892256
Saxitoxin,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3844.2Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3566.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213849.2Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213719.8Standard non polar33892256
Saxitoxin,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213823.9Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213568.3Standard non polar33892256
Saxitoxin,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3792.4Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3622.7Standard non polar33892256
Saxitoxin,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3787.6Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3413.2Standard non polar33892256
Saxitoxin,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3789.9Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3509.9Standard non polar33892256
Saxitoxin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3797.7Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3625.5Standard non polar33892256
Saxitoxin,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3700.4Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3477.0Standard non polar33892256
Saxitoxin,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)N(C(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]13)[Si](C)(C)C(C)(C)C3963.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)N(C(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]13)[Si](C)(C)C(C)(C)C3746.4Standard non polar33892256
Saxitoxin,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C3884.6Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C3617.5Standard non polar33892256
Saxitoxin,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3894.2Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3791.3Standard non polar33892256
Saxitoxin,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3878.2Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3715.8Standard non polar33892256
Saxitoxin,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3818.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3591.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #36CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3876.0Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #36CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3698.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #37CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3838.3Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #37CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3545.8Standard non polar33892256
Saxitoxin,4TBDMS,isomer #38CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3819.6Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #38CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3413.1Standard non polar33892256
Saxitoxin,4TBDMS,isomer #39CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3881.9Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #39CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3569.7Standard non polar33892256
Saxitoxin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3780.6Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3443.2Standard non polar33892256
Saxitoxin,4TBDMS,isomer #40CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133855.1Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #40CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133540.2Standard non polar33892256
Saxitoxin,4TBDMS,isomer #41CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3761.0Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #41CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3684.5Standard non polar33892256
Saxitoxin,4TBDMS,isomer #42CC(C)(C)[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3791.0Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #42CC(C)(C)[Si](C)(C)N1C(N)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3746.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #43CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O3786.8Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #43CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O3626.5Standard non polar33892256
Saxitoxin,4TBDMS,isomer #44CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3714.7Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #44CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3492.3Standard non polar33892256
Saxitoxin,4TBDMS,isomer #45CC(C)(C)[Si](C)(C)N1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3751.8Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #45CC(C)(C)[Si](C)(C)N1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O3682.7Standard non polar33892256
Saxitoxin,4TBDMS,isomer #46CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3757.2Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #46CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3497.7Standard non polar33892256
Saxitoxin,4TBDMS,isomer #47CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3778.1Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #47CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3632.4Standard non polar33892256
Saxitoxin,4TBDMS,isomer #48CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3716.4Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #48CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3464.6Standard non polar33892256
Saxitoxin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@@H]133831.4Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@@H]133511.8Standard non polar33892256
Saxitoxin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213896.5Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213586.4Standard non polar33892256
Saxitoxin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3863.8Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3512.9Standard non polar33892256
Saxitoxin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3858.0Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3666.8Standard non polar33892256
Saxitoxin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3821.2Semi standard non polar33892256
Saxitoxin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3497.8Standard non polar33892256
Saxitoxin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4044.7Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3811.7Standard non polar33892256
Saxitoxin,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3832.8Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3645.0Standard non polar33892256
Saxitoxin,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3912.8Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3589.8Standard non polar33892256
Saxitoxin,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3928.5Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3663.0Standard non polar33892256
Saxitoxin,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213954.2Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213826.0Standard non polar33892256
Saxitoxin,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213954.1Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213726.6Standard non polar33892256
Saxitoxin,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3924.4Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(N)=O)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3784.3Standard non polar33892256
Saxitoxin,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3912.6Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3565.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #17CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3878.3Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #17CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3634.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #18CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3855.8Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #18CC(C)(C)[Si](C)(C)N=C1N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3612.9Standard non polar33892256
Saxitoxin,5TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3214053.7Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213832.1Standard non polar33892256
Saxitoxin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3990.0Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3812.7Standard non polar33892256
Saxitoxin,5TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4009.6Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3767.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C4002.7Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O[Si](C)(C)C(C)(C)C3910.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #22CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3962.5Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #22CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3781.6Standard non polar33892256
Saxitoxin,5TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3947.7Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3770.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3982.6Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3815.3Standard non polar33892256
Saxitoxin,5TBDMS,isomer #25CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3919.0Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #25CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3663.2Standard non polar33892256
Saxitoxin,5TBDMS,isomer #26CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3926.5Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #26CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3569.2Standard non polar33892256
Saxitoxin,5TBDMS,isomer #27CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3965.7Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #27CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3663.3Standard non polar33892256
Saxitoxin,5TBDMS,isomer #28CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133980.9Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #28CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133692.1Standard non polar33892256
Saxitoxin,5TBDMS,isomer #29CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3874.0Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #29CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3776.1Standard non polar33892256
Saxitoxin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3954.1Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2NC(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3641.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #30CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3948.1Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #30CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3717.8Standard non polar33892256
Saxitoxin,5TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213940.1Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213890.0Standard non polar33892256
Saxitoxin,5TBDMS,isomer #32CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3855.4Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #32CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3627.3Standard non polar33892256
Saxitoxin,5TBDMS,isomer #33CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3887.2Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #33CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3688.7Standard non polar33892256
Saxitoxin,5TBDMS,isomer #34CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3890.3Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #34CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(N)=O)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O[Si](C)(C)C(C)(C)C3610.8Standard non polar33892256
Saxitoxin,5TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213889.9Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1(O)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(N)=O)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]3213830.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #36CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3854.9Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #36CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3599.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #37CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4006.6Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #37CC(C)(C)[Si](C)(C)N1C(=N)N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@@H]1COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3960.9Standard non polar33892256
Saxitoxin,5TBDMS,isomer #38CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3991.5Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #38CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3873.1Standard non polar33892256
Saxitoxin,5TBDMS,isomer #39CC(C)(C)[Si](C)(C)N1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O3995.6Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #39CC(C)(C)[Si](C)(C)N1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@]23[C@@H]1[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=N)N2CCC3(O)O3820.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]134043.0Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H]133703.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #40CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C3961.8Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #40CC(C)(C)[Si](C)(C)NC1=N[C@@]23[C@H]([C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N2CCC3(O)O)N1[Si](C)(C)C(C)(C)C3868.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #41CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3948.4Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #41CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3726.6Standard non polar33892256
Saxitoxin,5TBDMS,isomer #42CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3932.4Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #42CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3829.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #43CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3922.8Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #43CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N(CCC3(O)O)C(=N)N1[Si](C)(C)C(C)(C)C3812.1Standard non polar33892256
Saxitoxin,5TBDMS,isomer #44CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3881.3Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #44CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3640.7Standard non polar33892256
Saxitoxin,5TBDMS,isomer #45CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3913.0Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #45CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@H]3[C@H](COC(=O)N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3744.0Standard non polar33892256
Saxitoxin,5TBDMS,isomer #46CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3917.0Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #46CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N[Si](C)(C)C(C)(C)C)[C@@H]2N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@]23N1CCC3(O)O3627.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #47CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3900.9Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #47CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3787.2Standard non polar33892256
Saxitoxin,5TBDMS,isomer #48CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3848.7Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #48CC(C)(C)[Si](C)(C)N=C1N2CCC(O)(O)[C@@]23N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3[C@H](COC(N)=O)N1[Si](C)(C)C(C)(C)C3696.4Standard non polar33892256
Saxitoxin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]134014.3Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@]23N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]133675.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3909.6Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C1N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]2NC(N)=N[C@]23N1CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3741.1Standard non polar33892256
Saxitoxin,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213926.0Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N([Si](C)(C)C(C)(C)C)[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3NC(N)=N[C@@]3213875.2Standard non polar33892256
Saxitoxin,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213998.6Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)CCN2C(=N)N[C@@H](COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]3N([Si](C)(C)C(C)(C)C)C(N)=N[C@@]3213791.5Standard non polar33892256
Saxitoxin,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3922.1Semi standard non polar33892256
Saxitoxin,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)OC[C@H]1[C@@H]2N([Si](C)(C)C(C)(C)C)C(N)=N[C@]23N(CCC3(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C3787.1Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Saxitoxin GC-MS (Non-derivatized) - 70eV, Positivesplash10-00bc-9150000000-c7788a08720613df04dd2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Saxitoxin GC-MS (2 TMS) - 70eV, Positivesplash10-0002-5294100000-915e52718988f6d4be562017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Saxitoxin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 10V, Positive-QTOFsplash10-0ue9-1097000000-1045553e7245622b4f082017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 20V, Positive-QTOFsplash10-000i-1090000000-621ed7cec113c38d04862017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 40V, Positive-QTOFsplash10-0005-9120000000-1eb9eb2878c62a2b539e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 10V, Negative-QTOFsplash10-0006-9030000000-ebf5f0a9cd0e1074d70a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 20V, Negative-QTOFsplash10-0006-9000000000-efd2b04051c5353e83642017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 40V, Negative-QTOFsplash10-0006-9000000000-b7b1dbf14e0d49a400022017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 10V, Positive-QTOFsplash10-0udi-0009000000-092de728ecbdeec2d79e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 20V, Positive-QTOFsplash10-0udi-0069000000-63bc8dae9495a67e4bfa2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 40V, Positive-QTOFsplash10-000i-0090000000-04dfdbdb4162d1b418b52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 10V, Negative-QTOFsplash10-052b-0090000000-ca4cba3cf8dbc6d18b3f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 20V, Negative-QTOFsplash10-06r6-9070000000-8c6d7ed5eb4ca21b90b02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Saxitoxin 40V, Negative-QTOFsplash10-0006-9850000000-0468baf319d4bce0feef2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB000437
KNApSAcK IDC00051761
Chemspider ID34106
KEGG Compound IDC13757
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSaxitoxin
METLIN IDNot Available
PubChem Compound37165
PDB IDNot Available
ChEBI ID34970
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Holstege CP, Bechtel LK, Reilly TH, Wispelwey BP, Dobmeier SG: Unusual but potential agents of terrorists. Emerg Med Clin North Am. 2007 May;25(2):549-66; abstract xi. [PubMed:17482032 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .