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Showing metabocard for 6-Octenal (HMDB0039769)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:18:33 UTC
Update Date2023-02-21 17:27:07 UTC
HMDB IDHMDB0039769
Secondary Accession Numbers
  • HMDB39769
Metabolite Identification
Common Name6-Octenal
Description6-Octenal belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Based on a literature review a significant number of articles have been published on 6-Octenal.
Structure
Data?1677000427
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039769 (6-Octenal)


  Mrv0541 05061311232D          

  9  8  0  0  0  0            999 V2000
    2.4750    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
Download

3D MOL for HMDB0039769 (6-Octenal)

HMDB0039769
     RDKit          3D
6-Octenal
 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.7844   -0.6029    1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5406    0.5291    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    0.4545   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -0.7599   -0.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727   -0.5321   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    0.0455    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4922    0.2787    0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1108    1.2196   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108    1.8077   -1.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9108   -0.7024    1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436   -1.5418    0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6560   -0.3654    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1580    1.4409    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572    1.2795   -1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -1.1654   -1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1567   -1.5575   -0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    0.1344   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -1.5158   -0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260    0.9405    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248   -0.7179    1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894   -0.7340    0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    0.6188    1.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    1.4459   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
M  END
Download

3D SDF for HMDB0039769 (6-Octenal)


  Mrv0541 05061311232D          

  9  8  0  0  0  0            999 V2000
    2.4750    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039769

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C=C/CCCCC=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3/b3-2-

> <INCHI_KEY>
KVNBGNGISDIZRP-IHWYPQMZSA-N

> <FORMULA>
C8H14O

> <MOLECULAR_WEIGHT>
126.1962

> <EXACT_MASS>
126.10446507

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
15.602851496924998

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z)-oct-6-enal

> <ALOGPS_LOGP>
2.69

> <JCHEM_LOGP>
2.1794955486666665

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.509169190422561

> <JCHEM_PKA_STRONGEST_BASIC>
-6.9443099241913115

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
40.4668

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6Z)-oct-6-enal

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0039769 (6-Octenal)

HMDB0039769
     RDKit          3D
6-Octenal
 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.7844   -0.6029    1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5406    0.5291    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    0.4545   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -0.7599   -0.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727   -0.5321   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    0.0455    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4922    0.2787    0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1108    1.2196   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108    1.8077   -1.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9108   -0.7024    1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436   -1.5418    0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6560   -0.3654    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1580    1.4409    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572    1.2795   -1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -1.1654   -1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1567   -1.5575   -0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    0.1344   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -1.5158   -0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260    0.9405    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248   -0.7179    1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894   -0.7340    0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    0.6188    1.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    1.4459   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
M  END
Download

PDB for HMDB0039769 (6-Octenal)

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       4.620   5.747   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.286   4.977   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0039769 (6-Octenal)

COMPND    HMDB0039769
HETATM    1  C1  UNL     1      -2.784  -0.603   1.093  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.541   0.529   0.141  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.611   0.454  -0.790  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.801  -0.760  -0.895  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.673  -0.532  -0.713  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.029   0.045   0.610  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.492   0.279   0.816  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.111   1.220  -0.129  1.00  0.00           C  
HETATM    9  O1  UNL     1       2.511   1.808  -1.006  1.00  0.00           O  
HETATM   10  H1  UNL     1      -1.911  -0.702   1.741  1.00  0.00           H  
HETATM   11  H2  UNL     1      -3.044  -1.542   0.554  1.00  0.00           H  
HETATM   12  H3  UNL     1      -3.656  -0.365   1.732  1.00  0.00           H  
HETATM   13  H4  UNL     1      -3.158   1.441   0.230  1.00  0.00           H  
HETATM   14  H5  UNL     1      -1.457   1.280  -1.458  1.00  0.00           H  
HETATM   15  H6  UNL     1      -0.954  -1.165  -1.935  1.00  0.00           H  
HETATM   16  H7  UNL     1      -1.157  -1.558  -0.217  1.00  0.00           H  
HETATM   17  H8  UNL     1       1.031   0.134  -1.519  1.00  0.00           H  
HETATM   18  H9  UNL     1       1.168  -1.516  -0.894  1.00  0.00           H  
HETATM   19  H10 UNL     1       0.426   0.941   0.858  1.00  0.00           H  
HETATM   20  H11 UNL     1       0.725  -0.718   1.387  1.00  0.00           H  
HETATM   21  H12 UNL     1       2.989  -0.734   0.734  1.00  0.00           H  
HETATM   22  H13 UNL     1       2.726   0.619   1.856  1.00  0.00           H  
HETATM   23  H14 UNL     1       4.192   1.446  -0.086  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    3   13
CONECT    3    4   14
CONECT    4    5   15   16
CONECT    5    6   17   18
CONECT    6    7   19   20
CONECT    7    8   21   22
CONECT    8    9    9   23
END
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SMILES for HMDB0039769 (6-Octenal)

C\C=C/CCCCC=O
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INCHI for HMDB0039769 (6-Octenal)

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3/b3-2-
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC8H14O
Average Molecular Weight126.1962
Monoisotopic Molecular Weight126.10446507
IUPAC Name(6Z)-oct-6-enal
Traditional Name(6Z)-oct-6-enal
CAS Registry Number63826-25-5
SMILES
C\C=C/CCCCC=O
InChI Identifier
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3/b3-2-
InChI KeyKVNBGNGISDIZRP-IHWYPQMZSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentMedium-chain aldehydes
Alternative Parents
Substituents
  • Medium-chain aldehyde
  • Alpha-hydrogen aldehyde
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility612.7 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.38 g/LALOGPS
logP2.69ALOGPS
logP2.18ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)15.51ChemAxon
pKa (Strongest Basic)-6.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity40.47 m³·mol⁻¹ChemAxon
Polarizability15.6 ųChemAxon
Number of Rings0ChemAxon
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]+131.26831661259
DarkChem[M-H]-124.59731661259
DeepCCS[M+H]+135.09930932474
DeepCCS[M-H]-132.82730932474
DeepCCS[M-2H]-168.87130932474
DeepCCS[M+Na]+143.96930932474
AllCCS[M+H]+131.332859911
AllCCS[M+H-H2O]+127.132859911
AllCCS[M+NH4]+135.232859911
AllCCS[M+Na]+136.432859911
AllCCS[M-H]-134.432859911
AllCCS[M+Na-2H]-137.132859911
AllCCS[M+HCOO]-140.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6-OctenalC\C=C/CCCCC=O1340.3Standard polar33892256
6-OctenalC\C=C/CCCCC=O980.2Standard non polar33892256
6-OctenalC\C=C/CCCCC=O1017.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6-Octenal,1TMS,isomer #1C/C=C\CCCC=CO[Si](C)(C)C1225.2Semi standard non polar33892256
6-Octenal,1TMS,isomer #1C/C=C\CCCC=CO[Si](C)(C)C1163.0Standard non polar33892256
6-Octenal,1TBDMS,isomer #1C/C=C\CCCC=CO[Si](C)(C)C(C)(C)C1436.3Semi standard non polar33892256
6-Octenal,1TBDMS,isomer #1C/C=C\CCCC=CO[Si](C)(C)C(C)(C)C1395.8Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6-Octenal GC-MS (Non-derivatized) - 70eV, Positivesplash10-0lfr-9000000000-81ebfa004a5b879659e92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Octenal GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Octenal 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 - 6-Octenal 10V, Positive-QTOFsplash10-004i-0900000000-e1d8fd01ef376d78eeb42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 20V, Positive-QTOFsplash10-056r-9700000000-3950a4003eff1e33869e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 40V, Positive-QTOFsplash10-0006-9000000000-6f03f7223752067f033d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 10V, Negative-QTOFsplash10-004i-0900000000-47beaa1db01832885df62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 20V, Negative-QTOFsplash10-004i-3900000000-665723d8bb1a6b5d8ee62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 40V, Negative-QTOFsplash10-0006-9000000000-69ad2f17e49b6ee77e9b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 10V, Negative-QTOFsplash10-004i-0900000000-b08da4d2091aa16d3bd82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 20V, Negative-QTOFsplash10-0a4i-0900000000-3ffe755709dc875385082021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 40V, Negative-QTOFsplash10-0uxu-9000000000-b2ebbee8fa79a232dcce2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 10V, Positive-QTOFsplash10-0a4i-9000000000-64bae594c18eb38dddca2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 20V, Positive-QTOFsplash10-0apl-9000000000-dc67179b03e986e09a092021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Octenal 40V, Positive-QTOFsplash10-0aou-9000000000-889d4487d18ae4f1ae982021-09-23Wishart 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
  • 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 IDFDB019417
KNApSAcK IDC00003037
Chemspider ID20118410
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound21158617
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1123671
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.. .