Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:20:09 UTC
Update Date2022-03-07 02:54:28 UTC
HMDB IDHMDB0035360
Secondary Accession Numbers
  • HMDB35360
Metabolite Identification
Common NameN-Methyl-1-deoxynojirimycin
DescriptionN-Methyl-1-deoxynojirimycin belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. N-Methyl-1-deoxynojirimycin has been detected, but not quantified in, fruits. This could make N-methyl-1-deoxynojirimycin a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on N-Methyl-1-deoxynojirimycin.
Structure
Data?1563862707
Synonyms
ValueSource
1,5-Dideoxy-1,5-(methylimino)-D-glucitolHMDB
1,5-Dideoxy-1,5-(methylimino)-D-glucitol, 9ciHMDB
1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitolHMDB
MednjHMDB
N-Methyl-DNJHMDB
N-MethyldeoxynojirimycinHMDB
N-MethyldesoxynojirimycinHMDB
N-MethylmoranolinHMDB
N-MethylmoranolineHMDB
NMDNJHMDB
N-Methyl-1-deoxynojirimycinMeSH
N-Methyldeoxy-nojirimycinMeSH
MOR-14MeSH
Chemical FormulaC7H15NO4
Average Molecular Weight177.1983
Monoisotopic Molecular Weight177.100107973
IUPAC Name2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Traditional Name2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
CAS Registry Number69567-10-8
SMILES
CN1CC(O)C(O)C(O)C1CO
InChI Identifier
InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
InChI KeyAAKDPDFZMNYDLR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPiperidines
Sub ClassNot Available
Direct ParentPiperidines
Alternative Parents
Substituents
  • Piperidine
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Tertiary aliphatic amine
  • Tertiary amine
  • Polyol
  • Azacycle
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point141 - 142 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.40Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1040 g/LALOGPS
logP-2ALOGPS
logP-2.5ChemAxon
logS0.77ALOGPS
pKa (Strongest Acidic)12.9ChemAxon
pKa (Strongest Basic)7.78ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area84.16 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity41.87 m³·mol⁻¹ChemAxon
Polarizability17.82 ųChemAxon
Number of Rings1ChemAxon
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]+138.16331661259
DarkChem[M-H]-134.11831661259
DeepCCS[M+H]+134.06730932474
DeepCCS[M-H]-131.06430932474
DeepCCS[M-2H]-167.93730932474
DeepCCS[M+Na]+143.36530932474
AllCCS[M+H]+141.132859911
AllCCS[M+H-H2O]+136.932859911
AllCCS[M+NH4]+145.032859911
AllCCS[M+Na]+146.232859911
AllCCS[M-H]-136.332859911
AllCCS[M+Na-2H]-137.532859911
AllCCS[M+HCOO]-138.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-Methyl-1-deoxynojirimycinCN1CC(O)C(O)C(O)C1CO3275.6Standard polar33892256
N-Methyl-1-deoxynojirimycinCN1CC(O)C(O)C(O)C1CO1725.1Standard non polar33892256
N-Methyl-1-deoxynojirimycinCN1CC(O)C(O)C(O)C1CO1662.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Methyl-1-deoxynojirimycin,1TMS,isomer #1CN1CC(O[Si](C)(C)C)C(O)C(O)C1CO1704.2Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,1TMS,isomer #2CN1CC(O)C(O[Si](C)(C)C)C(O)C1CO1691.7Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,1TMS,isomer #3CN1CC(O)C(O)C(O[Si](C)(C)C)C1CO1709.4Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,1TMS,isomer #4CN1CC(O)C(O)C(O)C1CO[Si](C)(C)C1710.5Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TMS,isomer #1CN1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1CO1713.9Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TMS,isomer #2CN1CC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1CO1721.0Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TMS,isomer #3CN1CC(O[Si](C)(C)C)C(O)C(O)C1CO[Si](C)(C)C1729.6Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TMS,isomer #4CN1CC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1CO1721.7Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TMS,isomer #5CN1CC(O)C(O[Si](C)(C)C)C(O)C1CO[Si](C)(C)C1709.7Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TMS,isomer #6CN1CC(O)C(O)C(O[Si](C)(C)C)C1CO[Si](C)(C)C1734.8Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TMS,isomer #1CN1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1CO1780.4Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TMS,isomer #2CN1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1CO[Si](C)(C)C1747.5Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TMS,isomer #3CN1CC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1CO[Si](C)(C)C1774.5Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TMS,isomer #4CN1CC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1CO[Si](C)(C)C1748.3Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,4TMS,isomer #1CN1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1CO[Si](C)(C)C1863.3Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,1TBDMS,isomer #1CN1CC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1CO1908.2Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,1TBDMS,isomer #2CN1CC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1CO1904.9Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,1TBDMS,isomer #3CN1CC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1CO1920.3Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,1TBDMS,isomer #4CN1CC(O)C(O)C(O)C1CO[Si](C)(C)C(C)(C)C1936.7Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TBDMS,isomer #1CN1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1CO2136.2Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TBDMS,isomer #2CN1CC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1CO2144.9Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TBDMS,isomer #3CN1CC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1CO[Si](C)(C)C(C)(C)C2176.9Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TBDMS,isomer #4CN1CC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1CO2136.2Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TBDMS,isomer #5CN1CC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1CO[Si](C)(C)C(C)(C)C2147.2Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,2TBDMS,isomer #6CN1CC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1CO[Si](C)(C)C(C)(C)C2183.8Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TBDMS,isomer #1CN1CC(O[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)C1CO2410.9Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TBDMS,isomer #2CN1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1CO[Si](C)(C)C(C)(C)C2416.0Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TBDMS,isomer #3CN1CC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1CO[Si](C)(C)C(C)(C)C2424.3Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,3TBDMS,isomer #4CN1CC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1CO[Si](C)(C)C(C)(C)C2420.8Semi standard non polar33892256
N-Methyl-1-deoxynojirimycin,4TBDMS,isomer #1CN1CC(O[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)C1CO[Si](C)(C)C(C)(C)C2670.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (Non-derivatized) - 70eV, Positivesplash10-00kr-9800000000-5cd43dcef3e2d761193f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (4 TMS) - 70eV, Positivesplash10-0o91-3789400000-d330caf2327e9fc8b60d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-1-deoxynojirimycin GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 10V, Positive-QTOFsplash10-01t9-0900000000-7c4e1180850a0e0fb13b2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 20V, Positive-QTOFsplash10-03dl-1900000000-1efebc4b163e8f1577112016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 40V, Positive-QTOFsplash10-0006-9800000000-c728572cb34a93e928d02016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 10V, Negative-QTOFsplash10-004i-0900000000-172ccbbdf52ec5cfe2b12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 20V, Negative-QTOFsplash10-056s-3900000000-649be6cba32df74e8da72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 40V, Negative-QTOFsplash10-006x-9000000000-a9c8a143fbb8279218af2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 10V, Positive-QTOFsplash10-004i-0900000000-a4a143244828a5b81be02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 20V, Positive-QTOFsplash10-004i-4900000000-5b5c5fba62bfed29f93a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 40V, Positive-QTOFsplash10-0006-9000000000-377f1da225721a36a30e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 10V, Negative-QTOFsplash10-004i-0900000000-64efcf6f60311ed0674c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 20V, Negative-QTOFsplash10-004i-2900000000-c5da87dabacd0951d5e22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-1-deoxynojirimycin 40V, Negative-QTOFsplash10-0006-9100000000-d3b6ede8e6dd15ecb9d52021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB014032
KNApSAcK IDC00051703
Chemspider ID4228
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4381
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.. .