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Showing metabocard for 2-Ethoxy-5-methylpyrazine (HMDB0040142)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:41:16 UTC
Update Date2023-02-21 17:27:45 UTC
HMDB IDHMDB0040142
Secondary Accession Numbers
  • HMDB40142
Metabolite Identification
Common Name2-Ethoxy-5-methylpyrazine
Description2-Ethoxy-5-methylpyrazine belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. 2-Ethoxy-5-methylpyrazine is a nutty and roasted tasting compound. Based on a literature review very few articles have been published on 2-Ethoxy-5-methylpyrazine.
Structure
Data?1677000465
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0040142 (2-Ethoxy-5-methylpyrazine)


  Mrv0541 05061311392D          

 10 10  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
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3D MOL for HMDB0040142 (2-Ethoxy-5-methylpyrazine)

HMDB0040142
     RDKit          3D
2-Ethoxy-5-methylpyrazine
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.8762    0.2407    0.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270   -0.1556   -0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658    0.4714   -1.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412    0.2958   -0.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916    0.9186   -1.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833    0.7212   -1.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1905   -0.0771   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195   -0.2658    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.6975    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -0.5038    0.2303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122   -0.5065    1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    1.2243    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024    0.2913    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303   -1.2660   -0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7874    0.0560   -1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884    1.5704   -2.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1047   -0.8125   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0666    0.7269    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -0.8941    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -1.3381    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  5 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
M  END
Download

3D SDF for HMDB0040142 (2-Ethoxy-5-methylpyrazine)


  Mrv0541 05061311392D          

 10 10  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040142

> <DATABASE_NAME>
hmdb

> <SMILES>
CCOC1=NC=C(C)N=C1

> <INCHI_IDENTIFIER>
InChI=1S/C7H10N2O/c1-3-10-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3

> <INCHI_KEY>
MGDMTRSONRZXOH-UHFFFAOYSA-N

> <FORMULA>
C7H10N2O

> <MOLECULAR_WEIGHT>
138.1671

> <EXACT_MASS>
138.079312952

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
14.91295256508857

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethoxy-5-methylpyrazine

> <ALOGPS_LOGP>
1.68

> <JCHEM_LOGP>
0.46286534999999995

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.8654924895963733

> <JCHEM_POLAR_SURFACE_AREA>
35.010000000000005

> <JCHEM_REFRACTIVITY>
37.861

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethoxy-5-methylpyrazine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0040142 (2-Ethoxy-5-methylpyrazine)

HMDB0040142
     RDKit          3D
2-Ethoxy-5-methylpyrazine
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.8762    0.2407    0.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270   -0.1556   -0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658    0.4714   -1.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412    0.2958   -0.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916    0.9186   -1.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833    0.7212   -1.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1905   -0.0771   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195   -0.2658    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.6975    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -0.5038    0.2303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122   -0.5065    1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    1.2243    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024    0.2913    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303   -1.2660   -0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7874    0.0560   -1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884    1.5704   -2.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1047   -0.8125   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0666    0.7269    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -0.8941    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -1.3381    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  5 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
M  END
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PDB for HMDB0040142 (2-Ethoxy-5-methylpyrazine)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       0.000   1.540   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       2.667   0.000   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    6                                                            
CONECT    3    1   10                                                       
CONECT    4    6    9                                                       
CONECT    5    7    8                                                       
CONECT    6    2    4    8                                                  
CONECT    7    5    9   10                                                  
CONECT    8    5    6                                                       
CONECT    9    4    7                                                       
CONECT   10    3    7                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0040142 (2-Ethoxy-5-methylpyrazine)

COMPND    HMDB0040142
HETATM    1  C1  UNL     1      -2.876   0.241   0.955  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.827  -0.156  -0.512  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.766   0.471  -1.176  1.00  0.00           O  
HETATM    4  C3  UNL     1      -0.441   0.296  -0.806  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.592   0.919  -1.469  1.00  0.00           C  
HETATM    6  N1  UNL     1       1.883   0.721  -1.075  1.00  0.00           N  
HETATM    7  C5  UNL     1       2.190  -0.077  -0.040  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.620  -0.266   0.359  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.148  -0.697   0.619  1.00  0.00           C  
HETATM   10  N2  UNL     1      -0.137  -0.504   0.230  1.00  0.00           N  
HETATM   11  H1  UNL     1      -2.312  -0.506   1.533  1.00  0.00           H  
HETATM   12  H2  UNL     1      -2.386   1.224   1.118  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.902   0.291   1.347  1.00  0.00           H  
HETATM   14  H4  UNL     1      -2.630  -1.266  -0.582  1.00  0.00           H  
HETATM   15  H5  UNL     1      -3.787   0.056  -1.011  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.388   1.570  -2.308  1.00  0.00           H  
HETATM   17  H7  UNL     1       4.105  -0.813  -0.461  1.00  0.00           H  
HETATM   18  H8  UNL     1       4.067   0.727   0.555  1.00  0.00           H  
HETATM   19  H9  UNL     1       3.666  -0.894   1.270  1.00  0.00           H  
HETATM   20  H10 UNL     1       1.407  -1.338   1.451  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4
CONECT    4    5    5   10
CONECT    5    6   16
CONECT    6    7    7
CONECT    7    8    9
CONECT    8   17   18   19
CONECT    9   10   10   20
END
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SMILES for HMDB0040142 (2-Ethoxy-5-methylpyrazine)

CCOC1=NC=C(C)N=C1
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INCHI for HMDB0040142 (2-Ethoxy-5-methylpyrazine)

InChI=1S/C7H10N2O/c1-3-10-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Ethoxy-5-methyl-pyrazineHMDB
5-Ethoxy-2-methylpyrazineHMDB
Pyrazine, 5-ethoxy-2-methylHMDB
Chemical FormulaC7H10N2O
Average Molecular Weight138.1671
Monoisotopic Molecular Weight138.079312952
IUPAC Name2-ethoxy-5-methylpyrazine
Traditional Name2-ethoxy-5-methylpyrazine
CAS Registry Number67845-34-5
SMILES
CCOC1=NC=C(C)N=C1
InChI Identifier
InChI=1S/C7H10N2O/c1-3-10-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
InChI KeyMGDMTRSONRZXOH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentAlkyl aryl ethers
Alternative Parents
Substituents
  • Alkyl aryl ether
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point189.00 to 191.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility1824 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP1.703 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility149 g/LALOGPS
logP1.68ALOGPS
logP0.46ChemAxon
logS0.03ALOGPS
pKa (Strongest Basic)0.87ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area35.01 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity37.86 m³·mol⁻¹ChemAxon
Polarizability14.91 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+128.45131661259
DarkChem[M-H]-126.82531661259
DeepCCS[M+H]+132.55130932474
DeepCCS[M-H]-128.84530932474
DeepCCS[M-2H]-166.16130932474
DeepCCS[M+Na]+141.40130932474
AllCCS[M+H]+129.532859911
AllCCS[M+H-H2O]+124.932859911
AllCCS[M+NH4]+133.832859911
AllCCS[M+Na]+135.132859911
AllCCS[M-H]-130.832859911
AllCCS[M+Na-2H]-132.732859911
AllCCS[M+HCOO]-134.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Ethoxy-5-methylpyrazineCCOC1=NC=C(C)N=C11378.6Standard polar33892256
2-Ethoxy-5-methylpyrazineCCOC1=NC=C(C)N=C11038.5Standard non polar33892256
2-Ethoxy-5-methylpyrazineCCOC1=NC=C(C)N=C11084.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethoxy-5-methylpyrazine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0r2i-9400000000-625a931b06247db4e3ac2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethoxy-5-methylpyrazine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethoxy-5-methylpyrazine 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-Ethoxy-5-methylpyrazine 10V, Positive-QTOFsplash10-000i-1900000000-ae18d456cef23187b4b42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 20V, Positive-QTOFsplash10-000i-6900000000-f155e9e1fc398012fb1a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 40V, Positive-QTOFsplash10-0f6x-9000000000-61175bfd2ea58718ca252017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 10V, Negative-QTOFsplash10-000i-2900000000-9bdcbd2bc4de30619f4c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 20V, Negative-QTOFsplash10-00xr-9000000000-ab372ab457d8a017925f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 40V, Negative-QTOFsplash10-0udl-9000000000-05b95a77ee793b3c8e382017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 10V, Positive-QTOFsplash10-000i-0900000000-61258ea2cdc6b154affd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 20V, Positive-QTOFsplash10-03di-4900000000-37808d4ad9361fbfed3f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 40V, Positive-QTOFsplash10-0ktf-9000000000-5baa7c12e5c751967d892021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 10V, Negative-QTOFsplash10-052r-1900000000-2876f75ac92fe924da822021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 20V, Negative-QTOFsplash10-0a4i-5900000000-a90cf62a7111743efd382021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-5-methylpyrazine 40V, Negative-QTOFsplash10-0006-9100000000-1cd90a6b1cc19b7416f72021-09-25Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX 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 IDFDB019839
KNApSAcK IDNot Available
Chemspider ID95320
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound105758
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1381331
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.. .