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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:53:47 UTC
Update Date2022-03-07 02:53:36 UTC
HMDB IDHMDB0033110
Secondary Accession Numbers
  • HMDB33110
Metabolite Identification
Common Name(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside
Description(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 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 (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside has been detected, but not quantified in, citrus and herbs and spices. This could make (1S,2S,4R)-1,8-epoxy-p-menthan-2-ol glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside.
Structure
Data?1563862354
Synonyms
ValueSource
(-)-(1R,2R,4S)-2-Hydroxy-1,8-cineole beta-D-glucopyranosideHMDB
(1R,2R,4S)-2-Hydroxy-1,8-cineole beta-D-glucopyranosideHMDB
Chemical FormulaC16H28O7
Average Molecular Weight332.3893
Monoisotopic Molecular Weight332.18350325
IUPAC Name2-(hydroxymethyl)-6-({1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl}oxy)oxane-3,4,5-triol
Traditional Name2-(hydroxymethyl)-6-({1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl}oxy)oxane-3,4,5-triol
CAS Registry Number155836-26-3
SMILES
CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C16H28O7/c1-15(2)8-4-5-16(3,23-15)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3
InChI KeyNWZYTZHMCGWGOF-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
  • Hexose monosaccharide
  • O-glycosyl compound
  • Oxane
  • Monosaccharide
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Ether
  • Dialkyl ether
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point85 - 86 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility26.9 g/LALOGPS
logP-0.03ALOGPS
logP-0.5ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)12.21ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area108.61 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity79.64 m³·mol⁻¹ChemAxon
Polarizability34.79 ųChemAxon
Number of Rings3ChemAxon
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]+176.73231661259
DarkChem[M-H]-173.39531661259
DeepCCS[M+H]+177.30830932474
DeepCCS[M-H]-174.9530932474
DeepCCS[M-2H]-208.35330932474
DeepCCS[M+Na]+183.5830932474
AllCCS[M+H]+181.132859911
AllCCS[M+H-H2O]+178.332859911
AllCCS[M+NH4]+183.832859911
AllCCS[M+Na]+184.632859911
AllCCS[M-H]-180.132859911
AllCCS[M+Na-2H]-180.432859911
AllCCS[M+HCOO]-180.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucosideCC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O2319.8Standard polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucosideCC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O2453.4Standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucosideCC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O2632.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2556.5Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TMS,isomer #2CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O2539.7Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TMS,isomer #3CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2538.5Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TMS,isomer #4CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2535.3Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2549.8Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TMS,isomer #2CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2535.0Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TMS,isomer #3CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2531.4Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TMS,isomer #4CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2519.8Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TMS,isomer #5CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2531.4Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TMS,isomer #6CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2533.1Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2527.0Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TMS,isomer #2CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2523.6Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TMS,isomer #3CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2507.8Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TMS,isomer #4CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2492.6Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,4TMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2490.6Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TBDMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O2801.9Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TBDMS,isomer #2CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O2782.3Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TBDMS,isomer #3CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O2782.7Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,1TBDMS,isomer #4CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C2777.8Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TBDMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3014.1Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TBDMS,isomer #2CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3003.7Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TBDMS,isomer #3CC1(C)OC2(C)CCC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3003.2Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TBDMS,isomer #4CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3007.4Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TBDMS,isomer #5CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3017.0Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TBDMS,isomer #6CC1(C)OC2(C)CCC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3014.3Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TBDMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(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)C1O3222.5Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TBDMS,isomer #2CC1(C)OC2(C)CCC1CC2OC1OC(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)C3226.1Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TBDMS,isomer #3CC1(C)OC2(C)CCC1CC2OC1OC(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)C3206.5Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,3TBDMS,isomer #4CC1(C)OC2(C)CCC1CC2OC1OC(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)C3223.9Semi standard non polar33892256
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,4TBDMS,isomer #1CC1(C)OC2(C)CCC1CC2OC1OC(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)C3419.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-084i-9334000000-672d9da91f6837e0b1b22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS (4 TMS) - 70eV, Positivesplash10-0a4i-1111139000-8ec6fdf0dc7f74a683042017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS (TBDMS_3_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS (TBDMS_3_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS (TBDMS_4_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside GC-MS ("(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside,2TBDMS,#4" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 10V, Positive-QTOFsplash10-00e9-0905000000-96db44753536945a499a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 20V, Positive-QTOFsplash10-00di-0900000000-57e13f5f6a7653027f172016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 40V, Positive-QTOFsplash10-0uk9-1900000000-872b5e4ca5d07442611f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 10V, Negative-QTOFsplash10-00lr-2918000000-64361f5bea91952930752016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 20V, Negative-QTOFsplash10-014i-1901000000-eec885ab62e981d410272016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 40V, Negative-QTOFsplash10-0uxr-3900000000-c4634071bcb4229d7b5f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 10V, Negative-QTOFsplash10-001i-0009000000-f4dfcd848b7c9cd0e4da2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 20V, Negative-QTOFsplash10-001i-3219000000-ce24a009d3014742c5c92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 40V, Negative-QTOFsplash10-0a4l-9221000000-602a19ce057b453de52f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 10V, Positive-QTOFsplash10-001i-0309000000-fbc5557d3e29ea3c0c442021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 20V, Positive-QTOFsplash10-0ff0-0915000000-73725417c22c877653de2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside 40V, Positive-QTOFsplash10-08n9-5920000000-02a8df22ad4e889cd4b12021-09-22Wishart 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 IDFDB011111
KNApSAcK IDC00031459
Chemspider ID74886392
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound73815050
PDB IDNot Available
ChEBI ID174502
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.. .