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Showing metabocard for 2-Ethoxy-3-methylpyrazine (HMDB0031850)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:45:57 UTC
Update Date2023-02-21 17:21:22 UTC
HMDB IDHMDB0031850
Secondary Accession Numbers
  • HMDB31850
Metabolite Identification
Common Name2-Ethoxy-3-methylpyrazine
Description2-Ethoxy-3-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-3-methylpyrazine is an earthy, hazelnut, and pineapple tasting compound. Based on a literature review very few articles have been published on 2-Ethoxy-3-methylpyrazine.
Structure
Data?1677000082
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031850 (2-Ethoxy-3-methylpyrazine)


  Mrv0541 05061306102D          

 10 10  0  0  0  0            999 V2000
    1.4289    3.3000    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
    1.4289    2.4750    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
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
Download

3D MOL for HMDB0031850 (2-Ethoxy-3-methylpyrazine)

HMDB0031850
     RDKit          3D
2-Ethoxy-3-methylpyrazine
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.2437    0.2001    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056   -0.3528    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9108    0.1738   -0.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431   -0.1340    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8919   -0.9733    1.0455 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997   -1.2736    1.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1282   -0.7065    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6751    0.1359   -0.6104 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701    0.4305   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707    1.3561   -1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2025    0.6225   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9591   -0.6684    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6176    0.9575    1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.1056    1.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8868   -1.4759    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5566   -1.9535    1.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715   -0.9482    0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    0.8518   -2.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324    2.2837   -1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    1.5797   -2.5642 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
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
Download

3D SDF for HMDB0031850 (2-Ethoxy-3-methylpyrazine)


  Mrv0541 05061306102D          

 10 10  0  0  0  0            999 V2000
    1.4289    3.3000    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
    1.4289    2.4750    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
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031850

> <DATABASE_NAME>
hmdb

> <SMILES>
CCOC1=C(C)N=CC=N1

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

> <INCHI_KEY>
MMKWCKGYULOKET-UHFFFAOYSA-N

> <FORMULA>
C7H10N2O

> <MOLECULAR_WEIGHT>
138.1671

> <EXACT_MASS>
138.079312952

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
14.6756073053811

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethoxy-3-methylpyrazine

> <ALOGPS_LOGP>
1.64

> <JCHEM_LOGP>
0.46286534999999995

> <ALOGPS_LOGS>
0.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.1976557207073024

> <JCHEM_POLAR_SURFACE_AREA>
35.010000000000005

> <JCHEM_REFRACTIVITY>
37.861

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.53e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyrazine, 2-ethoxy-3-methyl-

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0031850 (2-Ethoxy-3-methylpyrazine)

HMDB0031850
     RDKit          3D
2-Ethoxy-3-methylpyrazine
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.2437    0.2001    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056   -0.3528    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9108    0.1738   -0.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431   -0.1340    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8919   -0.9733    1.0455 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997   -1.2736    1.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1282   -0.7065    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6751    0.1359   -0.6104 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701    0.4305   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707    1.3561   -1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2025    0.6225   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9591   -0.6684    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6176    0.9575    1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.1056    1.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8868   -1.4759    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5566   -1.9535    1.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715   -0.9482    0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    0.8518   -2.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324    2.2837   -1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    1.5797   -2.5642 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
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
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PDB for HMDB0031850 (2-Ethoxy-3-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   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       2.667   1.540   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    6                                                            
CONECT    3    1   10                                                       
CONECT    4    5    8                                                       
CONECT    5    4    9                                                       
CONECT    6    2    7    8                                                  
CONECT    7    6    9   10                                                  
CONECT    8    4    6                                                       
CONECT    9    5    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 HMDB0031850 (2-Ethoxy-3-methylpyrazine)

COMPND    HMDB0031850
HETATM    1  C1  UNL     1      -3.244   0.200   0.307  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.906  -0.353   0.758  1.00  0.00           C  
HETATM    3  O1  UNL     1      -0.911   0.174  -0.053  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.443  -0.134   0.095  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.892  -0.973   1.045  1.00  0.00           N  
HETATM    6  C4  UNL     1       2.200  -1.274   1.192  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.128  -0.706   0.343  1.00  0.00           C  
HETATM    8  N2  UNL     1       2.675   0.136  -0.610  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.370   0.430  -0.751  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.871   1.356  -1.798  1.00  0.00           C  
HETATM   11  H1  UNL     1      -3.203   0.622  -0.715  1.00  0.00           H  
HETATM   12  H2  UNL     1      -3.959  -0.668   0.310  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.618   0.957   1.058  1.00  0.00           H  
HETATM   14  H4  UNL     1      -1.764  -0.106   1.849  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.887  -1.476   0.679  1.00  0.00           H  
HETATM   16  H6  UNL     1       2.557  -1.954   1.963  1.00  0.00           H  
HETATM   17  H7  UNL     1       4.171  -0.948   0.463  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.014   0.852  -2.307  1.00  0.00           H  
HETATM   19  H9  UNL     1       0.532   2.284  -1.265  1.00  0.00           H  
HETATM   20  H10 UNL     1       1.637   1.580  -2.564  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4
CONECT    4    5    5    9
CONECT    5    6
CONECT    6    7    7   16
CONECT    7    8   17
CONECT    8    9    9
CONECT    9   10
CONECT   10   18   19   20
END
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SMILES for HMDB0031850 (2-Ethoxy-3-methylpyrazine)

CCOC1=C(C)N=CC=N1
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INCHI for HMDB0031850 (2-Ethoxy-3-methylpyrazine)

InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Ethoxy-3(5 or 6)-methylpyrazine, mixtureHMDB
2-Ethoxy-3-methyl-pyrazineHMDB
2-Methyl-3(5 or 6)-ethoxypyrazine, mixtureHMDB
2-Methyl-3-ethoxypyrazineHMDB
Pyrazine, 3-ethoxy-2-methylHMDB
Chemical FormulaC7H10N2O
Average Molecular Weight138.1671
Monoisotopic Molecular Weight138.079312952
IUPAC Name2-ethoxy-3-methylpyrazine
Traditional Namepyrazine, 2-ethoxy-3-methyl-
CAS Registry Number32737-14-7
SMILES
CCOC1=C(C)N=CC=N1
InChI Identifier
InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
InChI KeyMMKWCKGYULOKET-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 application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP1.82Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility153 g/LALOGPS
logP1.64ALOGPS
logP0.46ChemAxon
logS0.05ALOGPS
pKa (Strongest Basic)1.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area35.01 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity37.86 m³·mol⁻¹ChemAxon
Polarizability14.68 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]+128.16831661259
DarkChem[M-H]-126.28931661259
DeepCCS[M+H]+130.42830932474
DeepCCS[M-H]-126.9230932474
DeepCCS[M-2H]-163.96330932474
DeepCCS[M+Na]+139.00430932474
AllCCS[M+H]+129.532859911
AllCCS[M+H-H2O]+124.832859911
AllCCS[M+NH4]+133.732859911
AllCCS[M+Na]+135.032859911
AllCCS[M-H]-129.532859911
AllCCS[M+Na-2H]-131.432859911
AllCCS[M+HCOO]-133.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Ethoxy-3-methylpyrazineCCOC1=C(C)N=CC=N11361.9Standard polar33892256
2-Ethoxy-3-methylpyrazineCCOC1=C(C)N=CC=N11005.4Standard non polar33892256
2-Ethoxy-3-methylpyrazineCCOC1=C(C)N=CC=N11059.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethoxy-3-methylpyrazine GC-MS (Non-derivatized) - 70eV, Positivesplash10-01rf-9500000000-ad6c1789a9a7ac09484b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethoxy-3-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-3-methylpyrazine 10V, Positive-QTOFsplash10-000i-1900000000-38bd1a72979679cfcf362016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 20V, Positive-QTOFsplash10-000i-2900000000-5a94c72d7ea3e739f3502016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 40V, Positive-QTOFsplash10-0k96-9100000000-6059b60f654d7aece54e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 10V, Negative-QTOFsplash10-000i-1900000000-ff4a2be38d2c9d2def992016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 20V, Negative-QTOFsplash10-01b9-9100000000-7d468ad0ed5ac86a9ef42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 40V, Negative-QTOFsplash10-0f6x-9000000000-3212d9267457bfd1bf602016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 10V, Positive-QTOFsplash10-03dr-0900000000-202dfb6cbf6f62fe97c92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 20V, Positive-QTOFsplash10-03di-4900000000-ab0d9316e2d56bf93d322021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 40V, Positive-QTOFsplash10-0fr6-9000000000-3f79a3a3e5a81b96e5922021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 10V, Negative-QTOFsplash10-000i-0900000000-bf618e0cda7bbb6587ee2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 20V, Negative-QTOFsplash10-000f-9600000000-fd1008c850c69e3034332021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethoxy-3-methylpyrazine 40V, Negative-QTOFsplash10-0006-9000000000-f3849199b58dab0c840b2021-09-24Wishart 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 IDFDB008534
KNApSAcK IDNot Available
Chemspider ID109585
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound122941
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.. .