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Showing metabocard for 2-Ethylfuran (HMDB0040587)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:08:54 UTC
Update Date2023-02-21 17:28:22 UTC
HMDB IDHMDB0040587
Secondary Accession Numbers
  • HMDB40587
Metabolite Identification
Common Name2-Ethylfuran
Description2-Ethylfuran, also known as alpha-ethylfuran or 2-ethyloxole, is a member of the class of furans that is furan in which the hydrogen atom at position 2 has been replaced by an ethyl group. It has a role as a plant metabolite, a fragrance, a Maillard reaction product and a bacterial metabolite. It is a member of furans and a volatile organic compound. It derives from a furan. 2-ethylfuran belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 2-Ethylfuran is a sweet, burnt, and earthy tasting compound. 2-Ethylfuran is found, on average, in the highest concentration within kohlrabis. 2-Ethylfuran has also been detected, but not quantified, in several different foods such as cauliflowers, corns, cereals and cereal products, sweet bay, and sweet basils.
Structure
Data?1677000502
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0040587 (2-Ethylfuran)


  Mrv1652309272007392D          

  7  7  0  0  0  0            999 V2000
    1.5229    2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    1.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118    0.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    1.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1006    1.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  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
  7  6  1  0  0  0  0
M  END
Download

3D MOL for HMDB0040587 (2-Ethylfuran)

HMDB0040587
     RDKit          3D
2-Ethylfuran
 15 15  0  0  0  0  0  0  0  0999 V2000
    2.1778    0.3656   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669   -0.4905    0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1663   -0.1170    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2226   -0.7307    0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -0.1307    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    0.8501   -0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    0.8125   -0.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.1139   -0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    1.3606   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768    0.4409   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.2673    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304   -1.5451    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -1.5502    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4049   -0.3758    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641    1.4914   -1.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
M  END
Download

3D SDF for HMDB0040587 (2-Ethylfuran)


  Mrv1652309272007392D          

  7  7  0  0  0  0            999 V2000
    1.5229    2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    1.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118    0.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    1.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1006    1.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  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
  7  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040587

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC1=CC=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

> <INCHI_KEY>
HLPIHRDZBHXTFJ-UHFFFAOYSA-N

> <FORMULA>
C6H8O

> <MOLECULAR_WEIGHT>
96.1271

> <EXACT_MASS>
96.057514878

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
10.789376863453032

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethylfuran

> <ALOGPS_LOGP>
2.50

> <JCHEM_LOGP>
1.8355750543333331

> <ALOGPS_LOGS>
-1.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.806391977480637

> <JCHEM_POLAR_SURFACE_AREA>
13.14

> <JCHEM_REFRACTIVITY>
28.245100000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.78e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethylfuran

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0040587 (2-Ethylfuran)

HMDB0040587
     RDKit          3D
2-Ethylfuran
 15 15  0  0  0  0  0  0  0  0999 V2000
    2.1778    0.3656   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669   -0.4905    0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1663   -0.1170    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2226   -0.7307    0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -0.1307    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    0.8501   -0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    0.8125   -0.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.1139   -0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    1.3606   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768    0.4409   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.2673    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304   -1.5451    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -1.5502    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4049   -0.3758    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641    1.4914   -1.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
M  END
Download

PDB for HMDB0040587 (2-Ethylfuran)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0       2.843   4.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.523   2.493   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.958   0.553   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.582   0.553   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.434   2.017   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.058   2.017   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.188   2.923   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    6                                                       
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    7                                                       
CONECT    6    2    4    7                                                  
CONECT    7    5    6                                                       
MASTER        0    0    0    0    0    0    0    0    7    0   14    0
END
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3D PDB for HMDB0040587 (2-Ethylfuran)

COMPND    HMDB0040587
HETATM    1  C1  UNL     1       2.178   0.366  -0.494  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.267  -0.490   0.328  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.166  -0.117   0.108  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.223  -0.731   0.727  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.386  -0.131   0.287  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.960   0.850  -0.608  1.00  0.00           C  
HETATM    7  O1  UNL     1      -0.652   0.813  -0.674  1.00  0.00           O  
HETATM    8  H1  UNL     1       3.191  -0.114  -0.502  1.00  0.00           H  
HETATM    9  H2  UNL     1       2.242   1.361  -0.007  1.00  0.00           H  
HETATM   10  H3  UNL     1       1.877   0.441  -1.556  1.00  0.00           H  
HETATM   11  H4  UNL     1       1.502  -0.267   1.408  1.00  0.00           H  
HETATM   12  H5  UNL     1       1.430  -1.545   0.072  1.00  0.00           H  
HETATM   13  H6  UNL     1      -1.231  -1.550   1.449  1.00  0.00           H  
HETATM   14  H7  UNL     1      -3.405  -0.376   0.579  1.00  0.00           H  
HETATM   15  H8  UNL     1      -2.664   1.491  -1.119  1.00  0.00           H  
CONECT    1    2    8    9   10
CONECT    2    3   11   12
CONECT    3    4    4    7
CONECT    4    5   13
CONECT    5    6    6   14
CONECT    6    7   15
END
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SMILES for HMDB0040587 (2-Ethylfuran)

CCC1=CC=CO1
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INCHI for HMDB0040587 (2-Ethylfuran)

InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-Ethyl furaneChEBI
2-EthyloxoleChEBI
alpha-EthylfuranChEBI
FEMA 3673ChEBI
a-EthylfuranGenerator
Α-ethylfuranGenerator
2-ETHYL furanHMDB
2-Ethyl-furanHMDB
alpha-Ethyl-furanHMDB
2-EthylfuranHMDB
Chemical FormulaC6H8O
Average Molecular Weight96.1271
Monoisotopic Molecular Weight96.057514878
IUPAC Name2-ethylfuran
Traditional Name2-ethylfuran
CAS Registry Number3208-16-0
SMILES
CCC1=CC=CO1
InChI Identifier
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChI KeyHLPIHRDZBHXTFJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassHeteroaromatic compounds
Sub ClassNot Available
Direct ParentHeteroaromatic compounds
Alternative Parents
Substituents
  • Heteroaromatic compound
  • Furan
  • Oxacycle
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point92.00 to 93.00 °C. @ 765.00 mm HgThe Good Scents Company Information System
Water Solubility1070 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.40Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility7.78 g/LALOGPS
logP2.5ALOGPS
logP1.84ChemAxon
logS-1.1ALOGPS
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area13.14 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity28.25 m³·mol⁻¹ChemAxon
Polarizability10.79 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]+117.3431661259
DarkChem[M-H]-114.37231661259
DeepCCS[M+H]+126.06330932474
DeepCCS[M-H]-124.16730932474
DeepCCS[M-2H]-159.60930932474
DeepCCS[M+Na]+134.08130932474
AllCCS[M+H]+117.332859911
AllCCS[M+H-H2O]+112.132859911
AllCCS[M+NH4]+122.132859911
AllCCS[M+Na]+123.532859911
AllCCS[M-H]-120.332859911
AllCCS[M+Na-2H]-123.432859911
AllCCS[M+HCOO]-126.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-EthylfuranCCC1=CC=CO1964.8Standard polar33892256
2-EthylfuranCCC1=CC=CO1722.5Standard non polar33892256
2-EthylfuranCCC1=CC=CO1701.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - 2-Ethylfuran EI-B (Non-derivatized)splash10-0f8a-9000000000-0a498e756a2b6c66fee62017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 2-Ethylfuran EI-B (Non-derivatized)splash10-0f8a-9000000000-0a498e756a2b6c66fee62018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethylfuran GC-MS (Non-derivatized) - 70eV, Positivesplash10-000t-9000000000-7730c5958d82c53007952016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethylfuran 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-Ethylfuran 10V, Positive-QTOFsplash10-0002-9000000000-d07a54d0433e728e257a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 20V, Positive-QTOFsplash10-0002-9000000000-12ac97ecc566134c4ab82016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 40V, Positive-QTOFsplash10-0gb9-9000000000-88237e500904773d85842016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 10V, Negative-QTOFsplash10-0002-9000000000-285556247aa4ca18a7352016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 20V, Negative-QTOFsplash10-0002-9000000000-5762e9b9d36a488b9df22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 40V, Negative-QTOFsplash10-02ti-9000000000-cc81d01623b22852c02b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 10V, Negative-QTOFsplash10-0002-9000000000-4df8a222cabd6d96e35d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 20V, Negative-QTOFsplash10-014i-9000000000-b040b7471053137520a12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 40V, Negative-QTOFsplash10-0uxv-9000000000-acf24b52b725ca743a052021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 10V, Positive-QTOFsplash10-0170-9000000000-22652c32a7a14cc3989d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 20V, Positive-QTOFsplash10-0frb-9000000000-84b10dceb6e583a245392021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylfuran 40V, Positive-QTOFsplash10-0f7c-9000000000-eafbd0af02d028a93a982021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDFDB020370
KNApSAcK IDNot Available
Chemspider ID17522
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound18554
PDB IDNot Available
ChEBI ID141565
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1022621
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.. .