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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:18:19 UTC
Update Date2022-03-07 02:56:42 UTC
HMDB IDHMDB0040728
Secondary Accession Numbers
  • HMDB40728
Metabolite Identification
Common NameNeolicuroside
DescriptionNeolicuroside belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Thus, neolicuroside is considered to be a flavonoid. Neolicuroside has been detected, but not quantified in, herbs and spices. This could make neolicuroside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Neolicuroside.
Structure
Data?1563863582
Synonyms
ValueSource
Isoliquiritin apiosideHMDB
LicurasideHMDB
Chemical FormulaC26H30O13
Average Molecular Weight550.5086
Monoisotopic Molecular Weight550.168641046
IUPAC Name(2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
Traditional Namelicuroside
CAS Registry Number120926-46-7
SMILES
OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O
InChI Identifier
InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+
InChI KeyVMMVZVPAYFZNBM-FPYGCLRLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glycosides
Alternative Parents
Substituents
  • Flavonoid o-glycoside
  • 2'-hydroxychalcone
  • Linear 1,3-diarylpropanoid
  • Phenolic glycoside
  • Cinnamylphenol
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Benzoyl
  • Phenoxy compound
  • Phenol ether
  • Resorcinol
  • Styrene
  • Aryl ketone
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Oxane
  • Vinylogous acid
  • Alpha,beta-unsaturated ketone
  • Tetrahydrofuran
  • Tertiary alcohol
  • Acryloyl-group
  • Enone
  • Secondary alcohol
  • Ketone
  • Oxacycle
  • Organoheterocyclic compound
  • Acetal
  • Organooxygen compound
  • Alcohol
  • Primary alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point140 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility3574 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.63 g/LALOGPS
logP-0.04ALOGPS
logP0.085ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)7.78ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area215.83 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity131.63 m³·mol⁻¹ChemAxon
Polarizability55.26 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+217.82430932474
DeepCCS[M-H]-215.42830932474
DeepCCS[M-2H]-248.31330932474
DeepCCS[M+Na]+223.73630932474
AllCCS[M+H]+224.432859911
AllCCS[M+H-H2O]+222.932859911
AllCCS[M+NH4]+225.832859911
AllCCS[M+Na]+226.232859911
AllCCS[M-H]-217.632859911
AllCCS[M+Na-2H]-219.632859911
AllCCS[M+HCOO]-221.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
NeolicurosideOCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5455.5Standard polar33892256
NeolicurosideOCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O4716.5Standard non polar33892256
NeolicurosideOCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5059.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Neolicuroside,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O4991.8Semi standard non polar33892256
Neolicuroside,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)C=C14973.5Semi standard non polar33892256
Neolicuroside,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C14996.3Semi standard non polar33892256
Neolicuroside,1TMS,isomer #4C[Si](C)(C)OC1(CO)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O5005.3Semi standard non polar33892256
Neolicuroside,1TMS,isomer #5C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O4968.5Semi standard non polar33892256
Neolicuroside,1TMS,isomer #6C[Si](C)(C)OC1C(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)OCC1(O)CO4999.3Semi standard non polar33892256
Neolicuroside,1TMS,isomer #7C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(O)(CO)C1O4974.3Semi standard non polar33892256
Neolicuroside,1TMS,isomer #8C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C1O4962.7Semi standard non polar33892256
Neolicuroside,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O4911.7Semi standard non polar33892256
Neolicuroside,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O)C=C14867.9Semi standard non polar33892256
Neolicuroside,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)C=C14905.4Semi standard non polar33892256
Neolicuroside,2TMS,isomer #12C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O)C1O4845.9Semi standard non polar33892256
Neolicuroside,2TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)C=C14893.4Semi standard non polar33892256
Neolicuroside,2TMS,isomer #14C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C14882.4Semi standard non polar33892256
Neolicuroside,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C14898.3Semi standard non polar33892256
Neolicuroside,2TMS,isomer #16C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(CO)(O[Si](C)(C)C)C3O)C=C2)C(O)=C14921.4Semi standard non polar33892256
Neolicuroside,2TMS,isomer #17C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O)C1O4870.5Semi standard non polar33892256
Neolicuroside,2TMS,isomer #18C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O[Si](C)(C)C)C=C2)C(O)=C14912.8Semi standard non polar33892256
Neolicuroside,2TMS,isomer #19C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O4909.3Semi standard non polar33892256
Neolicuroside,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O4886.7Semi standard non polar33892256
Neolicuroside,2TMS,isomer #20C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C1O4884.5Semi standard non polar33892256
Neolicuroside,2TMS,isomer #21C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C)C1O4895.2Semi standard non polar33892256
Neolicuroside,2TMS,isomer #22C[Si](C)(C)OC1C(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)OCC1(CO)O[Si](C)(C)C4918.2Semi standard non polar33892256
Neolicuroside,2TMS,isomer #23C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4842.8Semi standard non polar33892256
Neolicuroside,2TMS,isomer #24C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4851.8Semi standard non polar33892256
Neolicuroside,2TMS,isomer #25C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4882.3Semi standard non polar33892256
Neolicuroside,2TMS,isomer #26C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C1O4880.4Semi standard non polar33892256
Neolicuroside,2TMS,isomer #27C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(O)(CO)C1O[Si](C)(C)C4890.6Semi standard non polar33892256
Neolicuroside,2TMS,isomer #28C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C1O[Si](C)(C)C4863.9Semi standard non polar33892256
Neolicuroside,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O4913.9Semi standard non polar33892256
Neolicuroside,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O4870.6Semi standard non polar33892256
Neolicuroside,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O4906.6Semi standard non polar33892256
Neolicuroside,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O4889.9Semi standard non polar33892256
Neolicuroside,2TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C4895.4Semi standard non polar33892256
Neolicuroside,2TMS,isomer #8C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O[Si](C)(C)C)=C14885.5Semi standard non polar33892256
Neolicuroside,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)(CO)C2O)C=C14859.3Semi standard non polar33892256
Neolicuroside,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O4780.4Semi standard non polar33892256
Neolicuroside,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O4774.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C4792.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O4797.7Semi standard non polar33892256
Neolicuroside,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4808.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4795.7Semi standard non polar33892256
Neolicuroside,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4819.1Semi standard non polar33892256
Neolicuroside,3TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4766.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4737.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4761.4Semi standard non polar33892256
Neolicuroside,3TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4783.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O4819.2Semi standard non polar33892256
Neolicuroside,3TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4811.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4803.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #22C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O[Si](C)(C)C)=C14757.7Semi standard non polar33892256
Neolicuroside,3TMS,isomer #23C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)(CO)C3O)C=C2)C(O[Si](C)(C)C)=C14759.7Semi standard non polar33892256
Neolicuroside,3TMS,isomer #24C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(CO)(O[Si](C)(C)C)C3O)C=C2)C(O[Si](C)(C)C)=C14788.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #25C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O)C1O4707.7Semi standard non polar33892256
Neolicuroside,3TMS,isomer #26C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)=C14771.2Semi standard non polar33892256
Neolicuroside,3TMS,isomer #27C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O)C=C14755.3Semi standard non polar33892256
Neolicuroside,3TMS,isomer #28C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)C=C14781.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #29C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4703.0Semi standard non polar33892256
Neolicuroside,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O4752.4Semi standard non polar33892256
Neolicuroside,3TMS,isomer #30C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)C=C14761.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #31C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)C=C14782.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #32C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4705.6Semi standard non polar33892256
Neolicuroside,3TMS,isomer #33C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)C=C14764.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #34C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O)C1O4777.0Semi standard non polar33892256
Neolicuroside,3TMS,isomer #35C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C14786.2Semi standard non polar33892256
Neolicuroside,3TMS,isomer #36C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4727.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #37C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C14767.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #38C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(CO)(O[Si](C)(C)C)C3O)C=C2)C(O)=C14800.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #39C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4724.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O4801.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #40C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)(CO)C3O[Si](C)(C)C)C=C2)C(O)=C14781.3Semi standard non polar33892256
Neolicuroside,3TMS,isomer #41C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(CO)(O[Si](C)(C)C)C3O)C=C2)C(O)=C14803.1Semi standard non polar33892256
Neolicuroside,3TMS,isomer #42C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4726.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #43C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)(CO)C3O[Si](C)(C)C)C=C2)C(O)=C14786.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #44C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O)C1O4778.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #45C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)C(O)=C14798.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #46C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4742.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #47C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4768.0Semi standard non polar33892256
Neolicuroside,3TMS,isomer #48C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4764.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #49C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4778.3Semi standard non polar33892256
Neolicuroside,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O4791.0Semi standard non polar33892256
Neolicuroside,3TMS,isomer #50C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4776.2Semi standard non polar33892256
Neolicuroside,3TMS,isomer #51C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4772.1Semi standard non polar33892256
Neolicuroside,3TMS,isomer #52C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C)C1O[Si](C)(C)C4778.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #53C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4707.7Semi standard non polar33892256
Neolicuroside,3TMS,isomer #54C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4736.3Semi standard non polar33892256
Neolicuroside,3TMS,isomer #55C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C4735.5Semi standard non polar33892256
Neolicuroside,3TMS,isomer #56C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C1O[Si](C)(C)C4755.1Semi standard non polar33892256
Neolicuroside,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C4803.0Semi standard non polar33892256
Neolicuroside,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O4801.8Semi standard non polar33892256
Neolicuroside,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O4728.9Semi standard non polar33892256
Neolicuroside,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O4783.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O4665.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4629.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4609.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4632.9Semi standard non polar33892256
Neolicuroside,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4658.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4690.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4702.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O4668.7Semi standard non polar33892256
Neolicuroside,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4703.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4673.1Semi standard non polar33892256
Neolicuroside,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4700.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O4598.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4626.7Semi standard non polar33892256
Neolicuroside,4TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4601.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #22C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4629.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #23C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4657.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #24C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4688.3Semi standard non polar33892256
Neolicuroside,4TMS,isomer #25C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4701.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #26C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4712.9Semi standard non polar33892256
Neolicuroside,4TMS,isomer #27C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4668.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #28C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4702.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #29C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4700.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O4656.7Semi standard non polar33892256
Neolicuroside,4TMS,isomer #30C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4731.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #31C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4729.8Semi standard non polar33892256
Neolicuroside,4TMS,isomer #32C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4631.3Semi standard non polar33892256
Neolicuroside,4TMS,isomer #33C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4665.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #34C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4651.0Semi standard non polar33892256
Neolicuroside,4TMS,isomer #35C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4708.0Semi standard non polar33892256
Neolicuroside,4TMS,isomer #36C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)(CO)C3O)C=C2)C(O[Si](C)(C)C)=C14620.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #37C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(CO)(O[Si](C)(C)C)C3O)C=C2)C(O[Si](C)(C)C)=C14638.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #38C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4567.0Semi standard non polar33892256
Neolicuroside,4TMS,isomer #39C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)(CO)C3O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)=C14616.7Semi standard non polar33892256
Neolicuroside,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O4640.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #40C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(CO)(O[Si](C)(C)C)C3O)C=C2)C(O[Si](C)(C)C)=C14634.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #41C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4563.3Semi standard non polar33892256
Neolicuroside,4TMS,isomer #42C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)(CO)C3O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)=C14618.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #43C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O)C1O4631.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #44C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)=C14675.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #45C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4590.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #46C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(CO)(O[Si](C)(C)C)C2O)C=C14648.9Semi standard non polar33892256
Neolicuroside,4TMS,isomer #47C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4564.3Semi standard non polar33892256
Neolicuroside,4TMS,isomer #48C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)(CO)C2O[Si](C)(C)C)C=C14621.9Semi standard non polar33892256
Neolicuroside,4TMS,isomer #49C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4626.7Semi standard non polar33892256
Neolicuroside,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C4666.1Semi standard non polar33892256
Neolicuroside,4TMS,isomer #50C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C14657.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #51C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4574.6Semi standard non polar33892256
Neolicuroside,4TMS,isomer #52C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4624.8Semi standard non polar33892256
Neolicuroside,4TMS,isomer #53C[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C14661.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #54C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C4570.9Semi standard non polar33892256
Neolicuroside,4TMS,isomer #55C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4664.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #56C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(CO)(O[Si](C)(C)C)C3O)C=C2)C(O)=C14653.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #57C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4572.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #58C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)(CO)C3O[Si](C)(C)C)C=C2)C(O)=C14629.7Semi standard non polar33892256
Neolicuroside,4TMS,isomer #59C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4627.3Semi standard non polar33892256
Neolicuroside,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O4664.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #60C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)C(O)=C14664.1Semi standard non polar33892256
Neolicuroside,4TMS,isomer #61C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4587.3Semi standard non polar33892256
Neolicuroside,4TMS,isomer #62C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4624.3Semi standard non polar33892256
Neolicuroside,4TMS,isomer #63C[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)C(O)=C14666.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #64C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C4582.4Semi standard non polar33892256
Neolicuroside,4TMS,isomer #65C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4663.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #66C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4636.2Semi standard non polar33892256
Neolicuroside,4TMS,isomer #67C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4652.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #68C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C4653.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #69C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C4663.5Semi standard non polar33892256
Neolicuroside,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4709.0Semi standard non polar33892256
Neolicuroside,4TMS,isomer #70C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C4591.7Semi standard non polar33892256
Neolicuroside,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4677.1Semi standard non polar33892256
Neolicuroside,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4705.6Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5232.0Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)C=C15203.1Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C15237.0Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1(CO)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O5252.5Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O5204.9Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)OCC1(O)CO5253.0Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(O)(CO)C1O5233.6Semi standard non polar33892256
Neolicuroside,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C1O5223.8Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5324.2Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)(CO)C2O)C=C15299.4Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C=C15311.4Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)C=C3)OC(CO)C(O)C2O)C1O5265.0Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C=C15310.0Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C15311.5Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C15336.5Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C=C2)C(O)=C15351.4Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O)C1O5303.8Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C=C2)C(O)=C15338.2Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O5317.7Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5298.8Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C1O5316.2Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C(C)(C)C)C1O5335.8Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)OCC1(CO)O[Si](C)(C)C(C)(C)C5344.2Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O5266.0Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O5284.1Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C5305.0Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C1O5319.4Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(O)(CO)C1O[Si](C)(C)C(C)(C)C5340.3Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C1O[Si](C)(C)C(C)(C)C5316.4Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5321.1Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5284.1Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5331.7Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5328.1Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5328.0Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C15297.9Semi standard non polar33892256
Neolicuroside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC2OCC(O)(CO)C2O)C=C15285.0Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5383.0Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5373.0Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5376.2Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5375.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5379.7Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5384.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5389.7Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5373.9Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5367.9Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5370.0Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5400.0Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5409.2Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5406.8Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5418.5Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C15357.8Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)(CO)C3O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C15378.2Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C15392.5Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O[Si](C)(C)C(C)(C)C)C=C3)OC(CO)C(O)C2O)C1O5362.3Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C=C2)C(O[Si](C)(C)C(C)(C)C)=C15385.6Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)(CO)C2O)C=C15353.8Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C=C15346.8Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O5313.3Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5390.2Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C=C15347.9Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C=C15365.2Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O5334.5Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C=C15367.6Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)C=C3)OC(CO)C(O)C2O)C1O5360.6Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C15366.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C5344.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)(CO)C3O)C=C2)C(O)=C15384.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C=C2)C(O)=C15399.0Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O5364.7Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5411.3Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C=C2)C(O)=C15389.3Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C=C2)C(O)=C15415.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O5384.2Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C=C2)C(O)=C15412.7Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O)C1O5401.1Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)/C=C/C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C2)C(O)=C15413.9Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C5388.9Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O5347.6Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O5364.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C5378.1Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5410.8Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O5364.4Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C5363.3Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5382.9Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O5331.0Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C5340.2Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(/C=C/C(=O)C4=CC=C(O)C=C4O)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5360.1Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5373.1Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5408.1Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5365.1Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5344.5Semi standard non polar33892256
Neolicuroside,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5374.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0g59-7440490000-28582a21e81862de43132017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (2 TMS) - 70eV, Positivesplash10-01zi-9201006000-b2b94a5e22d11d0974d12017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS ("Neolicuroside,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Neolicuroside GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 10V, Positive-QTOFsplash10-0pc0-0390850000-acc7682eb7468d09cb382017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 20V, Positive-QTOFsplash10-0a4r-0490200000-af517c1947fc75193f3b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 40V, Positive-QTOFsplash10-0a4i-2970100000-07cb013bc1fd4707696e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 10V, Negative-QTOFsplash10-0002-0663390000-1b76fef845ed75caf0142017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 20V, Negative-QTOFsplash10-0aos-0962120000-e9e60cc11d02422fe4182017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 40V, Negative-QTOFsplash10-0a4i-2950000000-35a818e22e9dbd3a5f9b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 10V, Positive-QTOFsplash10-0udi-0170090000-db1392fd73185d9f90982021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 20V, Positive-QTOFsplash10-0udi-0643970000-f54cd411793b8ef628c22021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 40V, Positive-QTOFsplash10-0551-5900310000-316a298602ea1b675d7c2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 10V, Negative-QTOFsplash10-0002-0120090000-2ad7822ec6d2298777fa2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 20V, Negative-QTOFsplash10-0532-4922530000-d48b1fc8418525ff8b8f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neolicuroside 40V, Negative-QTOFsplash10-014i-0930000000-d006fe3e2cc776b047fd2021-09-25Wishart 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 IDFDB020536
KNApSAcK IDC00033064
Chemspider ID4977421
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6475724
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1885871
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.. .