Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:47:31 UTC
Update Date2022-03-07 02:55:23 UTC
HMDB IDHMDB0037540
Secondary Accession Numbers
  • HMDB37540
Metabolite Identification
Common NameMargaritene
DescriptionMargaritene belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Margaritene has been detected, but not quantified in, fruits. This could make margaritene a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Margaritene.
Structure
Data?1563863047
SynonymsNot Available
Chemical FormulaC28H32O14
Average Molecular Weight592.5453
Monoisotopic Molecular Weight592.179205732
IUPAC Name8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Traditional Name8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CAS Registry Number64271-10-9
SMILES
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O
InChI Identifier
InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3
InChI KeyAOXGLIJSZLOQNZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid 8-C-glycosides
Alternative Parents
Substituents
  • Flavonoid-8-c-glycoside
  • 4p-methoxyflavonoid-skeleton
  • Hydroxyflavonoid
  • Flavone
  • 7-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Phenolic glycoside
  • C-glycosyl compound
  • Chromone
  • Disaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • Methoxybenzene
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • Pyranone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Oxane
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Ether
  • Dialkyl ether
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point192 - 193 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2954 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.86 g/LALOGPS
logP-0.01ALOGPS
logP-0.63ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)6.2ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area225.06 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity141.38 m³·mol⁻¹ChemAxon
Polarizability57.82 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+232.04631661259
DarkChem[M-H]-225.94731661259
DeepCCS[M+H]+224.69730932474
DeepCCS[M-H]-222.30230932474
DeepCCS[M-2H]-255.50330932474
DeepCCS[M+Na]+230.6130932474
AllCCS[M+H]+235.532859911
AllCCS[M+H-H2O]+234.032859911
AllCCS[M+NH4]+236.832859911
AllCCS[M+Na]+237.232859911
AllCCS[M-H]-234.032859911
AllCCS[M+Na-2H]-236.632859911
AllCCS[M+HCOO]-239.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MargariteneCOC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O5740.6Standard polar33892256
MargariteneCOC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O4964.0Standard non polar33892256
MargariteneCOC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O5544.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Margaritene,1TMS,isomer #1COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15380.5Semi standard non polar33892256
Margaritene,1TMS,isomer #2COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15392.7Semi standard non polar33892256
Margaritene,1TMS,isomer #3COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15401.9Semi standard non polar33892256
Margaritene,1TMS,isomer #4COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15411.9Semi standard non polar33892256
Margaritene,1TMS,isomer #5COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15399.9Semi standard non polar33892256
Margaritene,1TMS,isomer #6COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15401.2Semi standard non polar33892256
Margaritene,1TMS,isomer #7COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15398.4Semi standard non polar33892256
Margaritene,1TMS,isomer #8COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15410.0Semi standard non polar33892256
Margaritene,2TMS,isomer #1COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15289.5Semi standard non polar33892256
Margaritene,2TMS,isomer #10COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15309.2Semi standard non polar33892256
Margaritene,2TMS,isomer #11COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15282.0Semi standard non polar33892256
Margaritene,2TMS,isomer #12COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15251.0Semi standard non polar33892256
Margaritene,2TMS,isomer #13COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15274.9Semi standard non polar33892256
Margaritene,2TMS,isomer #14COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15287.8Semi standard non polar33892256
Margaritene,2TMS,isomer #15COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15270.5Semi standard non polar33892256
Margaritene,2TMS,isomer #16COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15289.5Semi standard non polar33892256
Margaritene,2TMS,isomer #17COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15259.6Semi standard non polar33892256
Margaritene,2TMS,isomer #18COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15286.8Semi standard non polar33892256
Margaritene,2TMS,isomer #19COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15305.7Semi standard non polar33892256
Margaritene,2TMS,isomer #2COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15275.2Semi standard non polar33892256
Margaritene,2TMS,isomer #20COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15291.4Semi standard non polar33892256
Margaritene,2TMS,isomer #21COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C15299.1Semi standard non polar33892256
Margaritene,2TMS,isomer #22COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C15289.1Semi standard non polar33892256
Margaritene,2TMS,isomer #23COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15263.0Semi standard non polar33892256
Margaritene,2TMS,isomer #24COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15248.1Semi standard non polar33892256
Margaritene,2TMS,isomer #25COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C15288.3Semi standard non polar33892256
Margaritene,2TMS,isomer #26COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15291.3Semi standard non polar33892256
Margaritene,2TMS,isomer #27COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15275.7Semi standard non polar33892256
Margaritene,2TMS,isomer #28COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15278.7Semi standard non polar33892256
Margaritene,2TMS,isomer #3COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15277.5Semi standard non polar33892256
Margaritene,2TMS,isomer #4COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15274.0Semi standard non polar33892256
Margaritene,2TMS,isomer #5COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15275.0Semi standard non polar33892256
Margaritene,2TMS,isomer #6COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15242.8Semi standard non polar33892256
Margaritene,2TMS,isomer #7COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15261.0Semi standard non polar33892256
Margaritene,2TMS,isomer #8COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15280.3Semi standard non polar33892256
Margaritene,2TMS,isomer #9COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15269.5Semi standard non polar33892256
Margaritene,3TMS,isomer #1COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15099.4Semi standard non polar33892256
Margaritene,3TMS,isomer #10COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15048.5Semi standard non polar33892256
Margaritene,3TMS,isomer #11COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15086.9Semi standard non polar33892256
Margaritene,3TMS,isomer #12COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15118.0Semi standard non polar33892256
Margaritene,3TMS,isomer #13COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15112.5Semi standard non polar33892256
Margaritene,3TMS,isomer #14COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15061.1Semi standard non polar33892256
Margaritene,3TMS,isomer #15COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15092.1Semi standard non polar33892256
Margaritene,3TMS,isomer #16COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15090.4Semi standard non polar33892256
Margaritene,3TMS,isomer #17COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15038.4Semi standard non polar33892256
Margaritene,3TMS,isomer #18COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15070.4Semi standard non polar33892256
Margaritene,3TMS,isomer #19COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C15092.9Semi standard non polar33892256
Margaritene,3TMS,isomer #2COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15114.6Semi standard non polar33892256
Margaritene,3TMS,isomer #20COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C15098.8Semi standard non polar33892256
Margaritene,3TMS,isomer #21COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C15087.2Semi standard non polar33892256
Margaritene,3TMS,isomer #22COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15095.2Semi standard non polar33892256
Margaritene,3TMS,isomer #23COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15145.4Semi standard non polar33892256
Margaritene,3TMS,isomer #24COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15131.9Semi standard non polar33892256
Margaritene,3TMS,isomer #25COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15065.4Semi standard non polar33892256
Margaritene,3TMS,isomer #26COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15107.6Semi standard non polar33892256
Margaritene,3TMS,isomer #27COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15122.8Semi standard non polar33892256
Margaritene,3TMS,isomer #28COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15118.3Semi standard non polar33892256
Margaritene,3TMS,isomer #29COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15052.6Semi standard non polar33892256
Margaritene,3TMS,isomer #3COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15094.9Semi standard non polar33892256
Margaritene,3TMS,isomer #30COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15091.7Semi standard non polar33892256
Margaritene,3TMS,isomer #31COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15148.6Semi standard non polar33892256
Margaritene,3TMS,isomer #32COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15108.4Semi standard non polar33892256
Margaritene,3TMS,isomer #33COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15129.6Semi standard non polar33892256
Margaritene,3TMS,isomer #34COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C15101.0Semi standard non polar33892256
Margaritene,3TMS,isomer #35COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C15113.0Semi standard non polar33892256
Margaritene,3TMS,isomer #36COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C15106.0Semi standard non polar33892256
Margaritene,3TMS,isomer #37COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15094.0Semi standard non polar33892256
Margaritene,3TMS,isomer #38COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15132.7Semi standard non polar33892256
Margaritene,3TMS,isomer #39COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15072.7Semi standard non polar33892256
Margaritene,3TMS,isomer #4COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15123.5Semi standard non polar33892256
Margaritene,3TMS,isomer #40COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15113.0Semi standard non polar33892256
Margaritene,3TMS,isomer #41COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15114.4Semi standard non polar33892256
Margaritene,3TMS,isomer #42COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15056.1Semi standard non polar33892256
Margaritene,3TMS,isomer #43COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15090.2Semi standard non polar33892256
Margaritene,3TMS,isomer #44COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C15106.7Semi standard non polar33892256
Margaritene,3TMS,isomer #45COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C15122.4Semi standard non polar33892256
Margaritene,3TMS,isomer #46COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C15108.8Semi standard non polar33892256
Margaritene,3TMS,isomer #47COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15143.7Semi standard non polar33892256
Margaritene,3TMS,isomer #48COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C15131.6Semi standard non polar33892256
Margaritene,3TMS,isomer #49COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C15141.1Semi standard non polar33892256
Margaritene,3TMS,isomer #5COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15062.4Semi standard non polar33892256
Margaritene,3TMS,isomer #50COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C15116.6Semi standard non polar33892256
Margaritene,3TMS,isomer #51COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C15127.7Semi standard non polar33892256
Margaritene,3TMS,isomer #52COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C15132.9Semi standard non polar33892256
Margaritene,3TMS,isomer #53COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C15066.4Semi standard non polar33892256
Margaritene,3TMS,isomer #54COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C15124.7Semi standard non polar33892256
Margaritene,3TMS,isomer #55COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C15109.3Semi standard non polar33892256
Margaritene,3TMS,isomer #56COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15110.0Semi standard non polar33892256
Margaritene,3TMS,isomer #6COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C15102.8Semi standard non polar33892256
Margaritene,3TMS,isomer #7COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15095.8Semi standard non polar33892256
Margaritene,3TMS,isomer #8COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15071.2Semi standard non polar33892256
Margaritene,3TMS,isomer #9COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C15111.4Semi standard non polar33892256
Margaritene,4TMS,isomer #1COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C14931.9Semi standard non polar33892256
Margaritene,4TMS,isomer #10COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14944.8Semi standard non polar33892256
Margaritene,4TMS,isomer #11COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14868.5Semi standard non polar33892256
Margaritene,4TMS,isomer #12COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14905.3Semi standard non polar33892256
Margaritene,4TMS,isomer #13COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14927.9Semi standard non polar33892256
Margaritene,4TMS,isomer #14COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14934.2Semi standard non polar33892256
Margaritene,4TMS,isomer #15COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14901.0Semi standard non polar33892256
Margaritene,4TMS,isomer #16COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C14945.1Semi standard non polar33892256
Margaritene,4TMS,isomer #17COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14941.1Semi standard non polar33892256
Margaritene,4TMS,isomer #18COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14857.5Semi standard non polar33892256
Margaritene,4TMS,isomer #19COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14898.1Semi standard non polar33892256
Margaritene,4TMS,isomer #2COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C14915.7Semi standard non polar33892256
Margaritene,4TMS,isomer #20COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14925.5Semi standard non polar33892256
Margaritene,4TMS,isomer #21COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14847.8Semi standard non polar33892256
Margaritene,4TMS,isomer #22COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14886.0Semi standard non polar33892256
Margaritene,4TMS,isomer #23COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14905.9Semi standard non polar33892256
Margaritene,4TMS,isomer #24COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14914.3Semi standard non polar33892256
Margaritene,4TMS,isomer #25COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14881.3Semi standard non polar33892256
Margaritene,4TMS,isomer #26COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14958.0Semi standard non polar33892256
Margaritene,4TMS,isomer #27COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14901.8Semi standard non polar33892256
Margaritene,4TMS,isomer #28COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14930.9Semi standard non polar33892256
Margaritene,4TMS,isomer #29COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14915.2Semi standard non polar33892256
Margaritene,4TMS,isomer #3COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14957.9Semi standard non polar33892256
Margaritene,4TMS,isomer #30COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14923.4Semi standard non polar33892256
Margaritene,4TMS,isomer #31COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14890.2Semi standard non polar33892256
Margaritene,4TMS,isomer #32COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14900.6Semi standard non polar33892256
Margaritene,4TMS,isomer #33COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14909.0Semi standard non polar33892256
Margaritene,4TMS,isomer #34COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14877.0Semi standard non polar33892256
Margaritene,4TMS,isomer #35COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14918.6Semi standard non polar33892256
Margaritene,4TMS,isomer #36COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C14942.9Semi standard non polar33892256
Margaritene,4TMS,isomer #37COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14937.9Semi standard non polar33892256
Margaritene,4TMS,isomer #38COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14855.6Semi standard non polar33892256
Margaritene,4TMS,isomer #39COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14889.7Semi standard non polar33892256
Margaritene,4TMS,isomer #4COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14860.7Semi standard non polar33892256
Margaritene,4TMS,isomer #40COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14971.4Semi standard non polar33892256
Margaritene,4TMS,isomer #41COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14902.3Semi standard non polar33892256
Margaritene,4TMS,isomer #42COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14934.9Semi standard non polar33892256
Margaritene,4TMS,isomer #43COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14916.1Semi standard non polar33892256
Margaritene,4TMS,isomer #44COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14919.2Semi standard non polar33892256
Margaritene,4TMS,isomer #45COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14897.6Semi standard non polar33892256
Margaritene,4TMS,isomer #46COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14951.9Semi standard non polar33892256
Margaritene,4TMS,isomer #47COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14878.0Semi standard non polar33892256
Margaritene,4TMS,isomer #48COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14917.8Semi standard non polar33892256
Margaritene,4TMS,isomer #49COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14890.5Semi standard non polar33892256
Margaritene,4TMS,isomer #5COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14904.4Semi standard non polar33892256
Margaritene,4TMS,isomer #50COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14898.0Semi standard non polar33892256
Margaritene,4TMS,isomer #51COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14876.3Semi standard non polar33892256
Margaritene,4TMS,isomer #52COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14938.1Semi standard non polar33892256
Margaritene,4TMS,isomer #53COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14948.4Semi standard non polar33892256
Margaritene,4TMS,isomer #54COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14921.2Semi standard non polar33892256
Margaritene,4TMS,isomer #55COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14923.0Semi standard non polar33892256
Margaritene,4TMS,isomer #56COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14938.3Semi standard non polar33892256
Margaritene,4TMS,isomer #57COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14863.8Semi standard non polar33892256
Margaritene,4TMS,isomer #58COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14894.6Semi standard non polar33892256
Margaritene,4TMS,isomer #59COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14927.1Semi standard non polar33892256
Margaritene,4TMS,isomer #6COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C14963.9Semi standard non polar33892256
Margaritene,4TMS,isomer #60COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14932.4Semi standard non polar33892256
Margaritene,4TMS,isomer #61COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14911.2Semi standard non polar33892256
Margaritene,4TMS,isomer #62COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14897.9Semi standard non polar33892256
Margaritene,4TMS,isomer #63COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14907.7Semi standard non polar33892256
Margaritene,4TMS,isomer #64COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14884.8Semi standard non polar33892256
Margaritene,4TMS,isomer #65COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14931.7Semi standard non polar33892256
Margaritene,4TMS,isomer #66COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C14927.6Semi standard non polar33892256
Margaritene,4TMS,isomer #67COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C14941.4Semi standard non polar33892256
Margaritene,4TMS,isomer #68COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14949.8Semi standard non polar33892256
Margaritene,4TMS,isomer #69COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14930.9Semi standard non polar33892256
Margaritene,4TMS,isomer #7COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C14957.4Semi standard non polar33892256
Margaritene,4TMS,isomer #70COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C14912.5Semi standard non polar33892256
Margaritene,4TMS,isomer #8COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C14878.7Semi standard non polar33892256
Margaritene,4TMS,isomer #9COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C14914.8Semi standard non polar33892256
Margaritene,1TBDMS,isomer #1COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15580.5Semi standard non polar33892256
Margaritene,1TBDMS,isomer #2COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15613.7Semi standard non polar33892256
Margaritene,1TBDMS,isomer #3COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15620.0Semi standard non polar33892256
Margaritene,1TBDMS,isomer #4COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C15635.8Semi standard non polar33892256
Margaritene,1TBDMS,isomer #5COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C15618.3Semi standard non polar33892256
Margaritene,1TBDMS,isomer #6COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15619.3Semi standard non polar33892256
Margaritene,1TBDMS,isomer #7COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15586.6Semi standard non polar33892256
Margaritene,1TBDMS,isomer #8COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15602.6Semi standard non polar33892256
Margaritene,2TBDMS,isomer #1COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15651.0Semi standard non polar33892256
Margaritene,2TBDMS,isomer #10COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15653.2Semi standard non polar33892256
Margaritene,2TBDMS,isomer #11COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C15655.0Semi standard non polar33892256
Margaritene,2TBDMS,isomer #12COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C15613.6Semi standard non polar33892256
Margaritene,2TBDMS,isomer #13COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15617.5Semi standard non polar33892256
Margaritene,2TBDMS,isomer #14COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15653.2Semi standard non polar33892256
Margaritene,2TBDMS,isomer #15COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15635.5Semi standard non polar33892256
Margaritene,2TBDMS,isomer #16COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C15653.0Semi standard non polar33892256
Margaritene,2TBDMS,isomer #17COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C15614.1Semi standard non polar33892256
Margaritene,2TBDMS,isomer #18COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15617.6Semi standard non polar33892256
Margaritene,2TBDMS,isomer #19COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C15688.6Semi standard non polar33892256
Margaritene,2TBDMS,isomer #2COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15639.1Semi standard non polar33892256
Margaritene,2TBDMS,isomer #20COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C15676.2Semi standard non polar33892256
Margaritene,2TBDMS,isomer #21COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C15661.7Semi standard non polar33892256
Margaritene,2TBDMS,isomer #22COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15652.5Semi standard non polar33892256
Margaritene,2TBDMS,isomer #23COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C15649.3Semi standard non polar33892256
Margaritene,2TBDMS,isomer #24COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C15632.9Semi standard non polar33892256
Margaritene,2TBDMS,isomer #25COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15631.9Semi standard non polar33892256
Margaritene,2TBDMS,isomer #26COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15647.2Semi standard non polar33892256
Margaritene,2TBDMS,isomer #27COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15631.7Semi standard non polar33892256
Margaritene,2TBDMS,isomer #28COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15655.4Semi standard non polar33892256
Margaritene,2TBDMS,isomer #3COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15643.6Semi standard non polar33892256
Margaritene,2TBDMS,isomer #4COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15633.8Semi standard non polar33892256
Margaritene,2TBDMS,isomer #5COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C15654.8Semi standard non polar33892256
Margaritene,2TBDMS,isomer #6COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C15612.9Semi standard non polar33892256
Margaritene,2TBDMS,isomer #7COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C15616.2Semi standard non polar33892256
Margaritene,2TBDMS,isomer #8COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15653.9Semi standard non polar33892256
Margaritene,2TBDMS,isomer #9COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C3O2)C=C15638.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (Non-derivatized) - 70eV, Positivesplash10-00gi-6323390000-f054128eec4450907b752017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (1 TMS) - 70eV, Positivesplash10-0002-8941878000-a567ec0bde30c082e4862017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS ("Margaritene,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Margaritene GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Margaritene , negative-QTOFsplash10-052f-0129060000-2f8a5719cf8bcad685e32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Margaritene , positive-QTOFsplash10-004j-0039400000-d5ec6dd24e37ad40d4f52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Margaritene , positive-QTOFsplash10-014i-0001509000-47be3ecdfd6a7341bac72017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 10V, Positive-QTOFsplash10-004m-0100970000-10f38bcd73e8f978b3162016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 20V, Positive-QTOFsplash10-004j-0200900000-7aa92eef646a97606c512016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 40V, Positive-QTOFsplash10-03di-1239500000-2bba8bd335a11724e3fb2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 10V, Negative-QTOFsplash10-0006-2110590000-7731e28bab59ccf1c6ec2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 20V, Negative-QTOFsplash10-0092-4512920000-199bca56163399b2dcd92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 40V, Negative-QTOFsplash10-03dj-8917600000-1abb0bd40b08baea76cd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 10V, Positive-QTOFsplash10-0006-0000090000-7cd1422e316abe7811f42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 20V, Positive-QTOFsplash10-0006-0000090000-89bfe2d5a21458e6c65f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 40V, Positive-QTOFsplash10-0udi-0000190000-f98d2618faa44985389a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 10V, Negative-QTOFsplash10-0006-0000090000-a8e752697181843495ff2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 20V, Negative-QTOFsplash10-004i-0000090000-239165e1f5488011eb3d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Margaritene 40V, Negative-QTOFsplash10-052f-0200190000-b187067fe07d1751ecc72021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB016622
KNApSAcK IDC00006280
Chemspider ID22370363
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound45360149
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1861891
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.. .