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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:14 UTC
Update Date2022-03-07 02:52:20 UTC
HMDB IDHMDB0029883
Secondary Accession Numbers
  • HMDB29883
Metabolite Identification
Common NameSambubiose
DescriptionSambubiose belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Sambubiose has been detected, but not quantified in, black elderberries (Sambucus nigra) and fruits. This could make sambubiose a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Sambubiose.
Structure
Data?1563861905
SynonymsNot Available
Chemical FormulaC11H20O10
Average Molecular Weight312.2705
Monoisotopic Molecular Weight312.10564686
IUPAC Name6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2,4,5-triol
Traditional Name6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2,4,5-triol
CAS Registry Number26388-68-1
SMILES
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O
InChI Identifier
InChI=1S/C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11/h3-18H,1-2H2
InChI KeyBUEBVQCTEJTADB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point202 - 203 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility631 g/LALOGPS
logP-3ALOGPS
logP-4.1ChemAxon
logS0.31ALOGPS
pKa (Strongest Acidic)11.27ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area169.3 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity62.37 m³·mol⁻¹ChemAxon
Polarizability28.79 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+169.97431661259
DarkChem[M-H]-164.63431661259
DeepCCS[M+H]+166.26830932474
DeepCCS[M-H]-163.9130932474
DeepCCS[M-2H]-196.79630932474
DeepCCS[M+Na]+172.36130932474
AllCCS[M+H]+172.332859911
AllCCS[M+H-H2O]+169.032859911
AllCCS[M+NH4]+175.232859911
AllCCS[M+Na]+176.132859911
AllCCS[M-H]-168.732859911
AllCCS[M+Na-2H]-168.332859911
AllCCS[M+HCOO]-168.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SambubioseOCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O3700.8Standard polar33892256
SambubioseOCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O3184.6Standard non polar33892256
SambubioseOCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O2594.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sambubiose,1TMS,isomer #1C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O2845.2Semi standard non polar33892256
Sambubiose,1TMS,isomer #2C[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O2828.5Semi standard non polar33892256
Sambubiose,1TMS,isomer #3C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O)C1O2865.0Semi standard non polar33892256
Sambubiose,1TMS,isomer #4C[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O)C1O2816.2Semi standard non polar33892256
Sambubiose,1TMS,isomer #5C[Si](C)(C)OC1C(OC2C(O)OC(CO)C(O)C2O)OCC(O)C1O2832.0Semi standard non polar33892256
Sambubiose,1TMS,isomer #6C[Si](C)(C)OC1C(O)C(CO)OC(O)C1OC1OCC(O)C(O)C1O2841.9Semi standard non polar33892256
Sambubiose,1TMS,isomer #7C[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O)C2O)C1O2839.8Semi standard non polar33892256
Sambubiose,2TMS,isomer #1C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O2806.8Semi standard non polar33892256
Sambubiose,2TMS,isomer #10C[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2768.9Semi standard non polar33892256
Sambubiose,2TMS,isomer #11C[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2793.8Semi standard non polar33892256
Sambubiose,2TMS,isomer #12C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O2792.2Semi standard non polar33892256
Sambubiose,2TMS,isomer #13C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O2802.7Semi standard non polar33892256
Sambubiose,2TMS,isomer #14C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O2787.6Semi standard non polar33892256
Sambubiose,2TMS,isomer #15C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C2811.3Semi standard non polar33892256
Sambubiose,2TMS,isomer #16C[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O)C1O2755.6Semi standard non polar33892256
Sambubiose,2TMS,isomer #17C[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C)C1O2760.8Semi standard non polar33892256
Sambubiose,2TMS,isomer #18C[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O)C1O[Si](C)(C)C2786.4Semi standard non polar33892256
Sambubiose,2TMS,isomer #19C[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C1O2776.3Semi standard non polar33892256
Sambubiose,2TMS,isomer #2C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O2811.9Semi standard non polar33892256
Sambubiose,2TMS,isomer #20C[Si](C)(C)OC1C(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C)OCC(O)C1O2781.5Semi standard non polar33892256
Sambubiose,2TMS,isomer #21C[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C2801.2Semi standard non polar33892256
Sambubiose,2TMS,isomer #3C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O2779.6Semi standard non polar33892256
Sambubiose,2TMS,isomer #4C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O2802.0Semi standard non polar33892256
Sambubiose,2TMS,isomer #5C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O2803.6Semi standard non polar33892256
Sambubiose,2TMS,isomer #6C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C2808.5Semi standard non polar33892256
Sambubiose,2TMS,isomer #7C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O2795.4Semi standard non polar33892256
Sambubiose,2TMS,isomer #8C[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O2792.8Semi standard non polar33892256
Sambubiose,2TMS,isomer #9C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C1O2813.5Semi standard non polar33892256
Sambubiose,3TMS,isomer #1C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O2800.9Semi standard non polar33892256
Sambubiose,3TMS,isomer #10C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2756.7Semi standard non polar33892256
Sambubiose,3TMS,isomer #11C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2752.6Semi standard non polar33892256
Sambubiose,3TMS,isomer #12C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C2770.4Semi standard non polar33892256
Sambubiose,3TMS,isomer #13C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2779.6Semi standard non polar33892256
Sambubiose,3TMS,isomer #14C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2794.7Semi standard non polar33892256
Sambubiose,3TMS,isomer #15C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2815.8Semi standard non polar33892256
Sambubiose,3TMS,isomer #16C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O2818.0Semi standard non polar33892256
Sambubiose,3TMS,isomer #17C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O2794.1Semi standard non polar33892256
Sambubiose,3TMS,isomer #18C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2778.8Semi standard non polar33892256
Sambubiose,3TMS,isomer #19C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2799.8Semi standard non polar33892256
Sambubiose,3TMS,isomer #2C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O2771.8Semi standard non polar33892256
Sambubiose,3TMS,isomer #20C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O2792.7Semi standard non polar33892256
Sambubiose,3TMS,isomer #21C[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2770.6Semi standard non polar33892256
Sambubiose,3TMS,isomer #22C[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2796.6Semi standard non polar33892256
Sambubiose,3TMS,isomer #23C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O2788.5Semi standard non polar33892256
Sambubiose,3TMS,isomer #24C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C2818.3Semi standard non polar33892256
Sambubiose,3TMS,isomer #25C[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2777.0Semi standard non polar33892256
Sambubiose,3TMS,isomer #26C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2801.4Semi standard non polar33892256
Sambubiose,3TMS,isomer #27C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2773.1Semi standard non polar33892256
Sambubiose,3TMS,isomer #28C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C2795.8Semi standard non polar33892256
Sambubiose,3TMS,isomer #29C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2774.6Semi standard non polar33892256
Sambubiose,3TMS,isomer #3C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O2805.1Semi standard non polar33892256
Sambubiose,3TMS,isomer #30C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2799.2Semi standard non polar33892256
Sambubiose,3TMS,isomer #31C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2815.0Semi standard non polar33892256
Sambubiose,3TMS,isomer #32C[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O2780.3Semi standard non polar33892256
Sambubiose,3TMS,isomer #33C[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O2776.6Semi standard non polar33892256
Sambubiose,3TMS,isomer #34C[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C2765.6Semi standard non polar33892256
Sambubiose,3TMS,isomer #35C[Si](C)(C)OC1C(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OCC(O)C1O2808.0Semi standard non polar33892256
Sambubiose,3TMS,isomer #4C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O2778.4Semi standard non polar33892256
Sambubiose,3TMS,isomer #5C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C2800.0Semi standard non polar33892256
Sambubiose,3TMS,isomer #6C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O2805.2Semi standard non polar33892256
Sambubiose,3TMS,isomer #7C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O2779.5Semi standard non polar33892256
Sambubiose,3TMS,isomer #8C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O2781.9Semi standard non polar33892256
Sambubiose,3TMS,isomer #9C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C2791.6Semi standard non polar33892256
Sambubiose,4TMS,isomer #1C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O2674.1Semi standard non polar33892256
Sambubiose,4TMS,isomer #10C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2627.7Semi standard non polar33892256
Sambubiose,4TMS,isomer #11C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2661.0Semi standard non polar33892256
Sambubiose,4TMS,isomer #12C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2647.4Semi standard non polar33892256
Sambubiose,4TMS,isomer #13C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C2653.9Semi standard non polar33892256
Sambubiose,4TMS,isomer #14C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2636.1Semi standard non polar33892256
Sambubiose,4TMS,isomer #15C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2630.3Semi standard non polar33892256
Sambubiose,4TMS,isomer #16C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2677.2Semi standard non polar33892256
Sambubiose,4TMS,isomer #17C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2618.0Semi standard non polar33892256
Sambubiose,4TMS,isomer #18C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2613.3Semi standard non polar33892256
Sambubiose,4TMS,isomer #19C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2633.7Semi standard non polar33892256
Sambubiose,4TMS,isomer #2C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O2641.2Semi standard non polar33892256
Sambubiose,4TMS,isomer #20C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2664.0Semi standard non polar33892256
Sambubiose,4TMS,isomer #21C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2673.4Semi standard non polar33892256
Sambubiose,4TMS,isomer #22C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2642.0Semi standard non polar33892256
Sambubiose,4TMS,isomer #23C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2673.5Semi standard non polar33892256
Sambubiose,4TMS,isomer #24C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2659.8Semi standard non polar33892256
Sambubiose,4TMS,isomer #25C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C2706.9Semi standard non polar33892256
Sambubiose,4TMS,isomer #26C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2652.3Semi standard non polar33892256
Sambubiose,4TMS,isomer #27C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2639.1Semi standard non polar33892256
Sambubiose,4TMS,isomer #28C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2678.7Semi standard non polar33892256
Sambubiose,4TMS,isomer #29C[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2627.5Semi standard non polar33892256
Sambubiose,4TMS,isomer #3C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O2630.6Semi standard non polar33892256
Sambubiose,4TMS,isomer #30C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2710.6Semi standard non polar33892256
Sambubiose,4TMS,isomer #31C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2645.0Semi standard non polar33892256
Sambubiose,4TMS,isomer #32C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2707.2Semi standard non polar33892256
Sambubiose,4TMS,isomer #33C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2707.7Semi standard non polar33892256
Sambubiose,4TMS,isomer #34C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2688.4Semi standard non polar33892256
Sambubiose,4TMS,isomer #35C[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C2643.8Semi standard non polar33892256
Sambubiose,4TMS,isomer #4C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C2649.4Semi standard non polar33892256
Sambubiose,4TMS,isomer #5C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2622.7Semi standard non polar33892256
Sambubiose,4TMS,isomer #6C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2594.5Semi standard non polar33892256
Sambubiose,4TMS,isomer #7C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C2609.8Semi standard non polar33892256
Sambubiose,4TMS,isomer #8C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2616.3Semi standard non polar33892256
Sambubiose,4TMS,isomer #9C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2636.4Semi standard non polar33892256
Sambubiose,5TMS,isomer #1C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2574.5Semi standard non polar33892256
Sambubiose,5TMS,isomer #10C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2539.8Semi standard non polar33892256
Sambubiose,5TMS,isomer #11C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2570.9Semi standard non polar33892256
Sambubiose,5TMS,isomer #12C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2556.4Semi standard non polar33892256
Sambubiose,5TMS,isomer #13C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2569.0Semi standard non polar33892256
Sambubiose,5TMS,isomer #14C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2560.7Semi standard non polar33892256
Sambubiose,5TMS,isomer #15C[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2542.8Semi standard non polar33892256
Sambubiose,5TMS,isomer #16C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2527.5Semi standard non polar33892256
Sambubiose,5TMS,isomer #17C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2547.5Semi standard non polar33892256
Sambubiose,5TMS,isomer #18C[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2512.1Semi standard non polar33892256
Sambubiose,5TMS,isomer #19C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2584.2Semi standard non polar33892256
Sambubiose,5TMS,isomer #2C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2545.9Semi standard non polar33892256
Sambubiose,5TMS,isomer #20C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2564.2Semi standard non polar33892256
Sambubiose,5TMS,isomer #21C[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2580.8Semi standard non polar33892256
Sambubiose,5TMS,isomer #3C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C2539.8Semi standard non polar33892256
Sambubiose,5TMS,isomer #4C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2528.3Semi standard non polar33892256
Sambubiose,5TMS,isomer #5C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2525.3Semi standard non polar33892256
Sambubiose,5TMS,isomer #6C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2551.3Semi standard non polar33892256
Sambubiose,5TMS,isomer #7C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2508.0Semi standard non polar33892256
Sambubiose,5TMS,isomer #8C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2506.9Semi standard non polar33892256
Sambubiose,5TMS,isomer #9C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2499.9Semi standard non polar33892256
Sambubiose,6TMS,isomer #1C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2474.1Semi standard non polar33892256
Sambubiose,6TMS,isomer #2C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2468.6Semi standard non polar33892256
Sambubiose,6TMS,isomer #3C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2463.6Semi standard non polar33892256
Sambubiose,6TMS,isomer #4C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2431.2Semi standard non polar33892256
Sambubiose,6TMS,isomer #5C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2424.2Semi standard non polar33892256
Sambubiose,6TMS,isomer #6C[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2495.4Semi standard non polar33892256
Sambubiose,6TMS,isomer #7C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2456.5Semi standard non polar33892256
Sambubiose,7TMS,isomer #1C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2420.8Semi standard non polar33892256
Sambubiose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O3091.7Semi standard non polar33892256
Sambubiose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O3062.7Semi standard non polar33892256
Sambubiose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O)C1O3097.1Semi standard non polar33892256
Sambubiose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O)C1O3078.0Semi standard non polar33892256
Sambubiose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(OC2C(O)OC(CO)C(O)C2O)OCC(O)C1O3077.6Semi standard non polar33892256
Sambubiose,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(O)C1OC1OCC(O)C(O)C1O3079.6Semi standard non polar33892256
Sambubiose,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O)C2O)C1O3079.5Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O3223.4Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3244.6Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3243.6Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3273.1Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3276.3Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3251.5Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3272.5Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O3252.3Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O3254.9Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C3248.4Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O3244.4Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O3268.1Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OCC(O)C1O3244.8Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C3253.2Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3244.8Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3242.6Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3240.2Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3249.5Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O)C1O3245.8Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O3242.0Semi standard non polar33892256
Sambubiose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C1O3269.6Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O3401.0Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3389.8Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3402.6Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3403.6Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3382.8Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3386.2Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3399.1Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O3382.0Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3409.6Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3398.6Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3376.4Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3387.8Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3415.3Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3402.2Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3379.8Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3400.4Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3408.2Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3387.3Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3404.8Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3401.4Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3412.2Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3407.5Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3369.7Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3419.1Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3416.3Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O3391.3Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1C(CO)OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O3391.0Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3393.4Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OCC(O)C1O3369.4Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3388.9Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3379.0Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3408.1Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3394.9Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3420.0Semi standard non polar33892256
Sambubiose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3418.4Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3530.2Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3526.7Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3535.2Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3573.1Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3559.2Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3565.8Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3560.7Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3554.5Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3556.2Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3553.8Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3554.1Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3527.6Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3532.0Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3518.1Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3522.9Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3502.1Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3544.7Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3549.4Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3535.5Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3557.4Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3565.7Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3553.9Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3551.6Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3542.5Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3543.0Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3542.3Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3544.8Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3557.7Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3531.4Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3525.7Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3519.6Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3548.1Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3524.7Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3523.2Semi standard non polar33892256
Sambubiose,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3504.9Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3646.7Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3653.1Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3680.0Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3685.1Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3690.4Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3694.9Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3683.2Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3628.1Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3632.3Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3619.7Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3643.9Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3679.9Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3652.8Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3648.2Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3660.5Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3677.2Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3669.1Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3666.6Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3670.1Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3653.2Semi standard non polar33892256
Sambubiose,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3661.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (Non-derivatized) - 70eV, Positivesplash10-00e9-3490000000-880c2c68ab8e316c86a22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (5 TMS) - 70eV, Positivesplash10-0a4i-2411029000-ed652dc2b435ac2a349e2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (TBDMS_3_35) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (TBDMS_4_31) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (TBDMS_4_35) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (TBDMS_5_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (TBDMS_5_18) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (TBDMS_5_21) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sambubiose GC-MS ("Sambubiose,3TBDMS,#35" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 10V, Positive-QTOFsplash10-03e9-0932000000-9c99c63a51ba6dcd9eb72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 20V, Positive-QTOFsplash10-03e9-0900000000-2be5d828683f57adaa752016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 40V, Positive-QTOFsplash10-03l0-4900000000-b3ed22dbb1fae37500142016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 10V, Negative-QTOFsplash10-03di-3943000000-1d752d82fcaeb4eb06672016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 20V, Negative-QTOFsplash10-01sj-2910000000-07a5b80fed325869c4be2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 40V, Negative-QTOFsplash10-0006-9500000000-e47d28a91f30e536ef1c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 10V, Negative-QTOFsplash10-03di-0429000000-59f7f309b8b35b9861302021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 20V, Negative-QTOFsplash10-0bvr-9821000000-4a9e136e603ce27de8cc2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 40V, Negative-QTOFsplash10-052f-9300000000-72c1aa6fc03b59a688ae2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 10V, Positive-QTOFsplash10-01r2-0194000000-9a1239c65f6861e50e0b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 20V, Positive-QTOFsplash10-03e9-3900000000-44549439989fb3016bf82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sambubiose 40V, Positive-QTOFsplash10-00kg-9300000000-fde4943c43ed1f7fe6fc2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDFDB001118
KNApSAcK IDC00057298
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSambubiose
METLIN IDNot Available
PubChem Compound21924842
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .