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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:55:55 UTC
Update Date2022-03-07 02:53:38 UTC
HMDB IDHMDB0033218
Secondary Accession Numbers
  • HMDB33218
Metabolite Identification
Common Name2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside
Description2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside.
Structure
Data?1563862370
SynonymsNot Available
Chemical FormulaC16H30O7
Average Molecular Weight334.4052
Monoisotopic Molecular Weight334.199153314
IUPAC Name2-[(6-hydroxy-2,6-dimethyloct-7-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name2-[(6-hydroxy-2,6-dimethyloct-7-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number219814-33-2
SMILES
CC(CCCC(C)(O)C=C)COC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3
InChI KeyBTUZVFURXAOVBC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Alkyl glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Monosaccharide
  • Oxane
  • Tertiary alcohol
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility14 g/LALOGPS
logP-0.21ALOGPS
logP-0.076ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)12.21ChemAxon
pKa (Strongest Basic)-1.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area119.61 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity83.62 m³·mol⁻¹ChemAxon
Polarizability36.29 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+179.25231661259
DarkChem[M-H]-174.14331661259
DeepCCS[M+H]+180.97530932474
DeepCCS[M-H]-178.61730932474
DeepCCS[M-2H]-211.7630932474
DeepCCS[M+Na]+187.16330932474
AllCCS[M+H]+184.032859911
AllCCS[M+H-H2O]+181.332859911
AllCCS[M+NH4]+186.532859911
AllCCS[M+Na]+187.332859911
AllCCS[M-H]-180.132859911
AllCCS[M+Na-2H]-181.032859911
AllCCS[M+HCOO]-182.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucosideCC(CCCC(C)(O)C=C)COC1OC(CO)C(O)C(O)C1O2617.1Standard polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucosideCC(CCCC(C)(O)C=C)COC1OC(CO)C(O)C(O)C1O2541.8Standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucosideCC(CCCC(C)(O)C=C)COC1OC(CO)C(O)C(O)C1O2575.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C2637.7Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TMS,isomer #2C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2598.5Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TMS,isomer #3C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O2563.2Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TMS,isomer #4C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2552.6Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TMS,isomer #5C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2560.6Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C2621.2Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #10C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2547.3Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #2C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C2620.6Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #3C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C2601.9Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #4C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C2614.0Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #5C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2555.6Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #6C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2530.8Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #7C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2555.4Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #8C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2536.1Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TMS,isomer #9C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2540.1Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C2589.3Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #10C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2524.2Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #2C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C2554.5Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #3C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C2586.7Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #4C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C2569.9Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #5C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C2582.2Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #6C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C2571.6Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #7C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2520.3Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #8C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2552.4Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TMS,isomer #9C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2518.8Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C2568.0Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TMS,isomer #2C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C2623.6Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TMS,isomer #3C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C2557.3Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TMS,isomer #4C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C2533.0Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TMS,isomer #5C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2563.3Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,5TMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C2631.1Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TBDMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C2889.5Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TBDMS,isomer #2C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O2805.7Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TBDMS,isomer #3C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2813.1Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TBDMS,isomer #4C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2798.0Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,1TBDMS,isomer #5C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2806.9Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3095.4Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #10C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2987.8Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #2C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3102.9Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #3C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3072.2Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #4C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3091.4Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #5C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3000.7Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #6C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2968.2Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #7C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2982.7Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #8C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2985.3Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,2TBDMS,isomer #9C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2987.3Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3278.9Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #10C=CC(C)(O)CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3168.7Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #2C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3248.7Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #3C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3271.5Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #4C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3273.1Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #5C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3280.0Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #6C=CC(C)(CCCC(C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3282.4Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #7C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3176.0Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #8C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3193.5Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,3TBDMS,isomer #9C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3179.1Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TBDMS,isomer #1C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3475.0Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TBDMS,isomer #2C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3503.5Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TBDMS,isomer #3C=CC(C)(CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3468.9Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TBDMS,isomer #4C=CC(C)(CCCC(C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3474.2Semi standard non polar33892256
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside,4TBDMS,isomer #5C=CC(C)(O)CCCC(C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3397.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-00xr-9536000000-6cd4387c534e0a2752ae2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside GC-MS (5 TMS) - 70eV, Positivesplash10-003r-2110109000-c54f3b5acc1d593bd2fa2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 10V, Positive-QTOFsplash10-05n0-1829000000-c8b5c05dba73fe1bbbec2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 20V, Positive-QTOFsplash10-0a4i-3901000000-4fbed1a0ab10f2501f862015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 40V, Positive-QTOFsplash10-0ap0-9400000000-8fab005488ef931cee8a2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 10V, Negative-QTOFsplash10-001i-1619000000-077276c35d604c6cf9762015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 20V, Negative-QTOFsplash10-0hvi-4913000000-39219286733739e12b8e2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 40V, Negative-QTOFsplash10-0596-9500000000-e69b4cd51a420048ce492015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 10V, Positive-QTOFsplash10-00kr-1549000000-6a402e91bda9b167b6742021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 20V, Positive-QTOFsplash10-000i-3912000000-e1bbd08f8c9654a820f12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 40V, Positive-QTOFsplash10-0540-9400000000-43d22fbb4dc2550b8d382021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 10V, Negative-QTOFsplash10-001i-0109000000-604d9da02a55917a42742021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 20V, Negative-QTOFsplash10-001i-7639000000-3ba6bbd67dd44f2ae7362021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 40V, Negative-QTOFsplash10-05fr-9201000000-5c5534a82cfee3aad8232021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
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 IDFDB011232
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85197903
PDB IDNot Available
ChEBI ID168717
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.