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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:14:31 UTC
Update Date2022-03-07 02:57:04 UTC
HMDB IDHMDB0041550
Secondary Accession Numbers
  • HMDB41550
Metabolite Identification
Common NameOleoside 11-methyl ester
DescriptionOleoside 11-methyl ester belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a small amount of articles have been published on Oleoside 11-methyl ester.
Structure
Data?1563863676
Synonyms
ValueSource
(-)-Oleoside 11-methyl esterHMDB
2-[3-Ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetateGenerator
Chemical FormulaC17H24O11
Average Molecular Weight404.3659
Monoisotopic Molecular Weight404.13186161
IUPAC Name2-[(3Z)-3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid
Traditional Name[(3Z)-3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetic acid
CAS Registry Number60539-23-3
SMILES
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C/C)C1CC(O)=O
InChI Identifier
InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6,8,10,12-14,16-18,21-23H,4-5H2,1-2H3,(H,19,20)/b7-3-
InChI KeyXSCVKBFEPYGZSL-CLTKARDFSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTerpene glycosides
Direct ParentTerpene glycosides
Alternative Parents
Substituents
  • Terpene glycoside
  • Glycosyl compound
  • Secoiridoid-skeleton
  • O-glycosyl compound
  • Monocyclic monoterpenoid
  • Monoterpenoid
  • Dicarboxylic acid or derivatives
  • Monosaccharide
  • Oxane
  • Vinylogous ester
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Methyl ester
  • Carboxylic acid ester
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Polyol
  • Organooxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Primary alcohol
  • Carbonyl group
  • 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 Solubility166500 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility9.83 g/LALOGPS
logP-1.3ALOGPS
logP-1.4ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.83ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area172.21 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity90.12 m³·mol⁻¹ChemAxon
Polarizability39.07 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+192.75231661259
DarkChem[M-H]-186.96431661259
DeepCCS[M+H]+193.26830932474
DeepCCS[M-H]-190.9130932474
DeepCCS[M-2H]-225.0730932474
DeepCCS[M+Na]+200.42330932474
AllCCS[M+H]+192.632859911
AllCCS[M+H-H2O]+190.232859911
AllCCS[M+NH4]+194.932859911
AllCCS[M+Na]+195.532859911
AllCCS[M-H]-189.832859911
AllCCS[M+Na-2H]-190.132859911
AllCCS[M+HCOO]-190.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Oleoside 11-methyl esterCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C/C)C1CC(O)=O4091.6Standard polar33892256
Oleoside 11-methyl esterCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C/C)C1CC(O)=O2983.3Standard non polar33892256
Oleoside 11-methyl esterCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C/C)C1CC(O)=O3135.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Oleoside 11-methyl ester,1TMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O3101.5Semi standard non polar33892256
Oleoside 11-methyl ester,1TMS,isomer #2C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O3091.1Semi standard non polar33892256
Oleoside 11-methyl ester,1TMS,isomer #3C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3082.2Semi standard non polar33892256
Oleoside 11-methyl ester,1TMS,isomer #4C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3095.6Semi standard non polar33892256
Oleoside 11-methyl ester,1TMS,isomer #5C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C3023.2Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O3084.1Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #10C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2982.4Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #2C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3060.7Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #3C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3094.2Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #4C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2974.6Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #5C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3096.7Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #6C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3098.6Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #7C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C3002.8Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #8C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3083.0Semi standard non polar33892256
Oleoside 11-methyl ester,2TMS,isomer #9C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2985.9Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3045.7Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #10C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2934.8Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #2C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3044.1Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #3C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2942.0Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #4C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3026.1Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #5C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2945.8Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #6C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2935.7Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #7C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3062.6Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #8C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2957.3Semi standard non polar33892256
Oleoside 11-methyl ester,3TMS,isomer #9C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2956.5Semi standard non polar33892256
Oleoside 11-methyl ester,4TMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O2987.3Semi standard non polar33892256
Oleoside 11-methyl ester,4TMS,isomer #2C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2916.1Semi standard non polar33892256
Oleoside 11-methyl ester,4TMS,isomer #3C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2908.2Semi standard non polar33892256
Oleoside 11-methyl ester,4TMS,isomer #4C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2890.5Semi standard non polar33892256
Oleoside 11-methyl ester,4TMS,isomer #5C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2890.8Semi standard non polar33892256
Oleoside 11-methyl ester,5TMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C2864.6Semi standard non polar33892256
Oleoside 11-methyl ester,1TBDMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O3294.7Semi standard non polar33892256
Oleoside 11-methyl ester,1TBDMS,isomer #2C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O3326.1Semi standard non polar33892256
Oleoside 11-methyl ester,1TBDMS,isomer #3C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3319.2Semi standard non polar33892256
Oleoside 11-methyl ester,1TBDMS,isomer #4C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3324.3Semi standard non polar33892256
Oleoside 11-methyl ester,1TBDMS,isomer #5C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3273.2Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O3468.2Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #10C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3454.6Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #2C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3481.0Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #3C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3467.4Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #4C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3431.4Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #5C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3514.8Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #6C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3504.4Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #7C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3459.0Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #8C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3507.7Semi standard non polar33892256
Oleoside 11-methyl ester,2TBDMS,isomer #9C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3451.8Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O3673.1Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #10C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3625.4Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #2C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3658.8Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #3C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3607.0Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #4C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3662.6Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #5C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3615.4Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #6C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3601.9Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #7C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3686.3Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #8C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3636.5Semi standard non polar33892256
Oleoside 11-methyl ester,3TBDMS,isomer #9C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3627.1Semi standard non polar33892256
Oleoside 11-methyl ester,4TBDMS,isomer #1C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O3859.3Semi standard non polar33892256
Oleoside 11-methyl ester,4TBDMS,isomer #2C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3804.3Semi standard non polar33892256
Oleoside 11-methyl ester,4TBDMS,isomer #3C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3791.0Semi standard non polar33892256
Oleoside 11-methyl ester,4TBDMS,isomer #4C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3798.2Semi standard non polar33892256
Oleoside 11-methyl ester,4TBDMS,isomer #5C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)O[Si](C)(C)C(C)(C)C3786.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Oleoside 11-methyl ester GC-MS (Non-derivatized) - 70eV, Positivesplash10-007c-6419000000-e66a53c25acdf034bd3c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleoside 11-methyl ester GC-MS (4 TMS) - 70eV, Positivesplash10-004i-2210109000-481fde9c2922fde5be342017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleoside 11-methyl ester 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 - Oleoside 11-methyl ester 10V, Positive-QTOFsplash10-0550-0976100000-0dcf0211b079c3e3e3512017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 20V, Positive-QTOFsplash10-002b-0931000000-21bbd40acecd6b5febcb2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 40V, Positive-QTOFsplash10-05a5-9810000000-464962cbf2be911860912017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 10V, Negative-QTOFsplash10-0udl-1597500000-347b3cf2a42c8f5be0022017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 20V, Negative-QTOFsplash10-01vo-3966000000-7b64f1171d89abea6d542017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 40V, Negative-QTOFsplash10-052f-3920000000-51187f32628a438905a02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 10V, Negative-QTOFsplash10-0002-0921000000-31d56017c504bf68979f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 20V, Negative-QTOFsplash10-0m2d-5849000000-e79c9e8b85be052ce8412021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 40V, Negative-QTOFsplash10-0ac3-6940000000-c73b71d05d75cbea110c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 10V, Positive-QTOFsplash10-0a6r-0893600000-865c2873bf568cd24c932021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 20V, Positive-QTOFsplash10-004i-0930000000-fc28c622b36dbc3afae52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleoside 11-methyl ester 40V, Positive-QTOFsplash10-052b-6960000000-98e4a5cbacb6cbebe87f2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID684
FooDB IDFDB021533
KNApSAcK IDC00037580
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131753164
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1893321
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.