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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:48:07 UTC
Update Date2022-03-07 02:55:47 UTC
HMDB IDHMDB0038482
Secondary Accession Numbers
  • HMDB38482
Metabolite Identification
Common NameNeolinustatin
DescriptionNeolinustatin belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. Neolinustatin is found, on average, in the highest concentration within flaxseeds (Linum usitatissimum). Neolinustatin has also been detected, but not quantified in, several different foods, such as common wheats (Triticum aestivum), bamboo shoots (Phyllostachys edulis), orange mints (Mentha aquatica), roman camomiles (Chamaemelum nobile), and cucurbita (Cucurbita). This could make neolinustatin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Neolinustatin.
Structure
Data?1563863205
SynonymsNot Available
Chemical FormulaC17H29NO11
Average Molecular Weight423.4123
Monoisotopic Molecular Weight423.174060775
IUPAC Name2-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanenitrile
Traditional Name2-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanenitrile
CAS Registry Number72229-42-6
SMILES
CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C#N
InChI Identifier
InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3
InChI KeyWOSYVGNDRYBQCQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentCyanogenic glycosides
Alternative Parents
Substituents
  • Cyanogenic glycoside
  • Disaccharide
  • O-glycosyl compound
  • Oxane
  • Secondary alcohol
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Nitrile
  • Carbonitrile
  • Oxacycle
  • Primary alcohol
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic nitrogen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point190 - 192 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility75.9 g/LALOGPS
logP-1.6ALOGPS
logP-3ChemAxon
logS-0.75ALOGPS
pKa (Strongest Acidic)11.91ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area202.32 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity91.88 m³·mol⁻¹ChemAxon
Polarizability41.19 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
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]+195.66131661259
DarkChem[M-H]-190.52131661259
DeepCCS[M+H]+193.83830932474
DeepCCS[M-H]-191.28230932474
DeepCCS[M-2H]-225.89630932474
DeepCCS[M+Na]+201.930932474
AllCCS[M+H]+198.432859911
AllCCS[M+H-H2O]+196.132859911
AllCCS[M+NH4]+200.432859911
AllCCS[M+Na]+201.032859911
AllCCS[M-H]-196.732859911
AllCCS[M+Na-2H]-197.032859911
AllCCS[M+HCOO]-197.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
NeolinustatinCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C#N2771.7Standard polar33892256
NeolinustatinCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C#N3458.1Standard non polar33892256
NeolinustatinCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C#N3393.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Neolinustatin,1TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O3299.1Semi standard non polar33892256
Neolinustatin,1TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3289.7Semi standard non polar33892256
Neolinustatin,1TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3256.5Semi standard non polar33892256
Neolinustatin,1TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3286.4Semi standard non polar33892256
Neolinustatin,1TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3296.9Semi standard non polar33892256
Neolinustatin,1TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3264.6Semi standard non polar33892256
Neolinustatin,1TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3294.5Semi standard non polar33892256
Neolinustatin,2TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3284.0Semi standard non polar33892256
Neolinustatin,2TMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3254.2Semi standard non polar33892256
Neolinustatin,2TMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3289.4Semi standard non polar33892256
Neolinustatin,2TMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3263.7Semi standard non polar33892256
Neolinustatin,2TMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3256.0Semi standard non polar33892256
Neolinustatin,2TMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3232.9Semi standard non polar33892256
Neolinustatin,2TMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3256.0Semi standard non polar33892256
Neolinustatin,2TMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3287.8Semi standard non polar33892256
Neolinustatin,2TMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3252.2Semi standard non polar33892256
Neolinustatin,2TMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3293.5Semi standard non polar33892256
Neolinustatin,2TMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3251.5Semi standard non polar33892256
Neolinustatin,2TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3232.4Semi standard non polar33892256
Neolinustatin,2TMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3270.5Semi standard non polar33892256
Neolinustatin,2TMS,isomer #21CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3259.4Semi standard non polar33892256
Neolinustatin,2TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3285.4Semi standard non polar33892256
Neolinustatin,2TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3274.2Semi standard non polar33892256
Neolinustatin,2TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3229.1Semi standard non polar33892256
Neolinustatin,2TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3272.9Semi standard non polar33892256
Neolinustatin,2TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3262.3Semi standard non polar33892256
Neolinustatin,2TMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3263.2Semi standard non polar33892256
Neolinustatin,2TMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3285.9Semi standard non polar33892256
Neolinustatin,3TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3179.8Semi standard non polar33892256
Neolinustatin,3TMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3188.4Semi standard non polar33892256
Neolinustatin,3TMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3165.4Semi standard non polar33892256
Neolinustatin,3TMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3189.3Semi standard non polar33892256
Neolinustatin,3TMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3147.8Semi standard non polar33892256
Neolinustatin,3TMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3159.0Semi standard non polar33892256
Neolinustatin,3TMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3157.4Semi standard non polar33892256
Neolinustatin,3TMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3208.4Semi standard non polar33892256
Neolinustatin,3TMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3198.6Semi standard non polar33892256
Neolinustatin,3TMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3166.5Semi standard non polar33892256
Neolinustatin,3TMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3203.3Semi standard non polar33892256
Neolinustatin,3TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3187.6Semi standard non polar33892256
Neolinustatin,3TMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3201.6Semi standard non polar33892256
Neolinustatin,3TMS,isomer #21CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3176.4Semi standard non polar33892256
Neolinustatin,3TMS,isomer #22CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3206.5Semi standard non polar33892256
Neolinustatin,3TMS,isomer #23CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3188.7Semi standard non polar33892256
Neolinustatin,3TMS,isomer #24CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3200.0Semi standard non polar33892256
Neolinustatin,3TMS,isomer #25CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3198.3Semi standard non polar33892256
Neolinustatin,3TMS,isomer #26CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3203.0Semi standard non polar33892256
Neolinustatin,3TMS,isomer #27CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3175.3Semi standard non polar33892256
Neolinustatin,3TMS,isomer #28CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3208.2Semi standard non polar33892256
Neolinustatin,3TMS,isomer #29CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3157.3Semi standard non polar33892256
Neolinustatin,3TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3187.0Semi standard non polar33892256
Neolinustatin,3TMS,isomer #30CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3172.3Semi standard non polar33892256
Neolinustatin,3TMS,isomer #31CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3165.1Semi standard non polar33892256
Neolinustatin,3TMS,isomer #32CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3187.4Semi standard non polar33892256
Neolinustatin,3TMS,isomer #33CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3199.1Semi standard non polar33892256
Neolinustatin,3TMS,isomer #34CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3196.6Semi standard non polar33892256
Neolinustatin,3TMS,isomer #35CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3206.8Semi standard non polar33892256
Neolinustatin,3TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3161.5Semi standard non polar33892256
Neolinustatin,3TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3186.7Semi standard non polar33892256
Neolinustatin,3TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3184.6Semi standard non polar33892256
Neolinustatin,3TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3153.7Semi standard non polar33892256
Neolinustatin,3TMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3138.4Semi standard non polar33892256
Neolinustatin,3TMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3150.9Semi standard non polar33892256
Neolinustatin,4TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3158.8Semi standard non polar33892256
Neolinustatin,4TMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3101.3Semi standard non polar33892256
Neolinustatin,4TMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3114.2Semi standard non polar33892256
Neolinustatin,4TMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3086.2Semi standard non polar33892256
Neolinustatin,4TMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3108.7Semi standard non polar33892256
Neolinustatin,4TMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3058.1Semi standard non polar33892256
Neolinustatin,4TMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3062.2Semi standard non polar33892256
Neolinustatin,4TMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3060.3Semi standard non polar33892256
Neolinustatin,4TMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3096.6Semi standard non polar33892256
Neolinustatin,4TMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3107.3Semi standard non polar33892256
Neolinustatin,4TMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3101.1Semi standard non polar33892256
Neolinustatin,4TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3109.7Semi standard non polar33892256
Neolinustatin,4TMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3096.0Semi standard non polar33892256
Neolinustatin,4TMS,isomer #21CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3141.2Semi standard non polar33892256
Neolinustatin,4TMS,isomer #22CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3100.9Semi standard non polar33892256
Neolinustatin,4TMS,isomer #23CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3144.1Semi standard non polar33892256
Neolinustatin,4TMS,isomer #24CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3082.9Semi standard non polar33892256
Neolinustatin,4TMS,isomer #25CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3089.4Semi standard non polar33892256
Neolinustatin,4TMS,isomer #26CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3089.3Semi standard non polar33892256
Neolinustatin,4TMS,isomer #27CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3098.9Semi standard non polar33892256
Neolinustatin,4TMS,isomer #28CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3108.9Semi standard non polar33892256
Neolinustatin,4TMS,isomer #29CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3108.7Semi standard non polar33892256
Neolinustatin,4TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3082.2Semi standard non polar33892256
Neolinustatin,4TMS,isomer #30CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3137.0Semi standard non polar33892256
Neolinustatin,4TMS,isomer #31CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3086.7Semi standard non polar33892256
Neolinustatin,4TMS,isomer #32CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3096.1Semi standard non polar33892256
Neolinustatin,4TMS,isomer #33CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3095.7Semi standard non polar33892256
Neolinustatin,4TMS,isomer #34CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3086.6Semi standard non polar33892256
Neolinustatin,4TMS,isomer #35CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3136.2Semi standard non polar33892256
Neolinustatin,4TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3102.4Semi standard non polar33892256
Neolinustatin,4TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3131.2Semi standard non polar33892256
Neolinustatin,4TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3097.8Semi standard non polar33892256
Neolinustatin,4TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3125.9Semi standard non polar33892256
Neolinustatin,4TMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3097.6Semi standard non polar33892256
Neolinustatin,4TMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3107.1Semi standard non polar33892256
Neolinustatin,5TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3075.6Semi standard non polar33892256
Neolinustatin,5TMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3037.3Semi standard non polar33892256
Neolinustatin,5TMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3001.1Semi standard non polar33892256
Neolinustatin,5TMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3003.2Semi standard non polar33892256
Neolinustatin,5TMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3003.2Semi standard non polar33892256
Neolinustatin,5TMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3000.8Semi standard non polar33892256
Neolinustatin,5TMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3031.2Semi standard non polar33892256
Neolinustatin,5TMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3002.5Semi standard non polar33892256
Neolinustatin,5TMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3011.3Semi standard non polar33892256
Neolinustatin,5TMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3012.9Semi standard non polar33892256
Neolinustatin,5TMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3008.3Semi standard non polar33892256
Neolinustatin,5TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3049.4Semi standard non polar33892256
Neolinustatin,5TMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3028.2Semi standard non polar33892256
Neolinustatin,5TMS,isomer #21CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3009.6Semi standard non polar33892256
Neolinustatin,5TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3063.6Semi standard non polar33892256
Neolinustatin,5TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2997.3Semi standard non polar33892256
Neolinustatin,5TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3001.8Semi standard non polar33892256
Neolinustatin,5TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3001.6Semi standard non polar33892256
Neolinustatin,5TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3027.3Semi standard non polar33892256
Neolinustatin,5TMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3040.6Semi standard non polar33892256
Neolinustatin,5TMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3031.9Semi standard non polar33892256
Neolinustatin,6TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2993.8Semi standard non polar33892256
Neolinustatin,6TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2996.5Semi standard non polar33892256
Neolinustatin,6TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2999.7Semi standard non polar33892256
Neolinustatin,6TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2977.5Semi standard non polar33892256
Neolinustatin,6TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2995.7Semi standard non polar33892256
Neolinustatin,6TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2980.2Semi standard non polar33892256
Neolinustatin,6TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2984.7Semi standard non polar33892256
Neolinustatin,1TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O3511.0Semi standard non polar33892256
Neolinustatin,1TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O3528.0Semi standard non polar33892256
Neolinustatin,1TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3505.3Semi standard non polar33892256
Neolinustatin,1TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3519.4Semi standard non polar33892256
Neolinustatin,1TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3520.7Semi standard non polar33892256
Neolinustatin,1TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3507.9Semi standard non polar33892256
Neolinustatin,1TBDMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3520.1Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O3651.5Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3660.8Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3661.8Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3661.5Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3649.5Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3647.6Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3644.8Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3650.4Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3645.8Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3648.1Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3651.8Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3631.0Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3659.8Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #21CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3664.1Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3642.2Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3635.8Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3624.9Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3633.4Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3654.4Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3650.4Semi standard non polar33892256
Neolinustatin,2TBDMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3666.0Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3748.2Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3748.7Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3748.0Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3734.6Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3721.7Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3711.3Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3723.0Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3771.8Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3769.4Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3772.6Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3763.3Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3743.3Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3759.8Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #21CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3761.9Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #22CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3753.8Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #23CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3770.6Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #24CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3763.1Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #25CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3778.2Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #26CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3781.1Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #27CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3782.7Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #28CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3776.7Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #29CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3761.7Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3756.0Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #30CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3752.9Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #31CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3765.0Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #32CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3753.1Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #33CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3745.8Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #34CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3757.6Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #35CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3768.6Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3753.9Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3744.8Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3756.2Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3743.0Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3759.1Semi standard non polar33892256
Neolinustatin,3TBDMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3726.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3859.6Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3823.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3843.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3868.3Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3826.7Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3843.6Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3828.2Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3839.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3818.1Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3809.2Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3817.0Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3839.6Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3794.4Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #21CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3852.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #22CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3865.6Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #23CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3839.4Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #24CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3849.6Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #25CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3836.7Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #26CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3850.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #27CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3847.0Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #28CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3836.8Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #29CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3849.1Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3862.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #30CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3862.1Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #31CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3858.7Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #32CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3846.0Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #33CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3860.4Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #34CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3855.9Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #35CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3848.3Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3823.5Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3849.3Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3869.1Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3834.0Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3823.5Semi standard non polar33892256
Neolinustatin,4TBDMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3815.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Neolinustatin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0btc-5649400000-c9cfa48ce823aa8f25a72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolinustatin GC-MS (3 TMS) - 70eV, Positivesplash10-00e9-5150139000-e6d3dc33e23b181ea9b82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolinustatin GC-MS (TBDMS_4_31) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolinustatin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolinustatin GC-MS ("Neolinustatin,4TBDMS,#31" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 10V, Positive-QTOFsplash10-0zgi-6921700000-f7467844ef757d579d622015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 20V, Positive-QTOFsplash10-0ue9-9710000000-324a9709af2f022b6e4f2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 40V, Positive-QTOFsplash10-0f89-9700000000-b2f76afcb60030a8ad852015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 10V, Negative-QTOFsplash10-0231-9421500000-e137b3d6e4ee11a615772015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 20V, Negative-QTOFsplash10-0002-9300100000-46138695857e0d86b6bd2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 40V, Negative-QTOFsplash10-0002-9100000000-9d89440459efbfc7dbe52015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 10V, Negative-QTOFsplash10-00di-0003900000-17ecf9299d82aff008ce2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 20V, Negative-QTOFsplash10-0mbc-9447200000-6799fe334ed32cb5b75b2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 40V, Negative-QTOFsplash10-0a4i-9000000000-99b8207765b85b23d4752021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 10V, Positive-QTOFsplash10-00e9-5033900000-6d8756bd340b0e562a732021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 20V, Positive-QTOFsplash10-0a4i-9100000000-3fdcbd3cd72fb072c8762021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolinustatin 40V, Positive-QTOFsplash10-0pb9-9100000000-365a14e4b3ca43f2650d2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDFDB017846
KNApSAcK IDC00001450
Chemspider ID3677427
KEGG Compound IDC08336
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4479452
PDB IDNot Available
ChEBI IDNot Available
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .