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Showing metabocard for 2-Nonanone (HMDB0031266)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2012-09-11 17:42:00 UTC
Update Date2023-02-21 17:20:14 UTC
HMDB IDHMDB0031266
Secondary Accession Numbers
  • HMDB0013822
  • HMDB13822
  • HMDB31266
Metabolite Identification
Common Name2-Nonanone
Description2-Nonanone, also known as beta-nonanone or N-C7H15COCH3, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, 2-nonanone is considered to be an oxygenated hydrocarbon. 2-Nonanone exists in all living species, ranging from bacteria to plants to humans. 2-Nonanone is a sweet, earthy, and fishy tasting compound. 2-Nonanone is found, on average, in the highest concentration within a few different foods, such as corns (Zea mays), gingers (Zingiber officinale), and cloves (Syzygium aromaticum) and in a lower concentration in beer. 2-Nonanone has also been detected, but not quantified in, several different foods, such as asparagus (Asparagus officinalis), garden tomatoes (Solanum lycopersicum), anatidaes (Anatidae), alcoholic beverages, and fruits. This could make 2-nonanone a potential biomarker for the consumption of these foods. 2-Nonanone is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. 2-Nonanone, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis, crohn's disease, and nonalcoholic fatty liver disease; 2-nonanone has also been linked to the inborn metabolic disorder celiac disease. Based on a literature review a significant number of articles have been published on 2-Nonanone.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031266 (2-Nonanone)

  Mrv1652302102020342D          

 10  9  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  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  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
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3D MOL for HMDB0031266 (2-Nonanone)

HMDB0031266
     RDKit          3D
2-Nonanone
 28 27  0  0  0  0  0  0  0  0999 V2000
    3.7807    0.8692    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450   -0.1010    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    0.6547   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3984   -0.2327   -0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2128   -0.8473    0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801   -1.7423    0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848   -0.9834   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236    0.1148    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391    1.5194    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054   -0.1164    1.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    1.2944    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4039    1.6754    1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310    0.2726    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -0.5161    1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -0.9415    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348    1.4911    0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243    1.1060   -1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300   -1.0659   -1.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    0.3915   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729   -0.0820    1.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699   -1.5036    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027   -2.5730   -0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7817   -2.1752    1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1832   -0.5768   -1.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2941   -1.7386   -0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    2.1924    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3626    1.7251   -0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    1.8892    0.9568 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  9 26  1  0
  9 27  1  0
  9 28  1  0
M  END
Download

3D SDF for HMDB0031266 (2-Nonanone)

  Mrv1652302102020342D          

 10  9  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  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  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031266

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3

> <INCHI_KEY>
VKCYHJWLYTUGCC-UHFFFAOYSA-N

> <FORMULA>
C9H18O

> <MOLECULAR_WEIGHT>
142.2386

> <EXACT_MASS>
142.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
18.453314097532523

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nonan-2-one

> <ALOGPS_LOGP>
3.08

> <JCHEM_LOGP>
3.029658980333333

> <ALOGPS_LOGS>
-2.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.643447760748405

> <JCHEM_PKA_STRONGEST_BASIC>
-7.270866249933624

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
43.8267

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.83e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-nonanone

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0031266 (2-Nonanone)

HMDB0031266
     RDKit          3D
2-Nonanone
 28 27  0  0  0  0  0  0  0  0999 V2000
    3.7807    0.8692    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450   -0.1010    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    0.6547   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3984   -0.2327   -0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2128   -0.8473    0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801   -1.7423    0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848   -0.9834   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236    0.1148    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391    1.5194    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054   -0.1164    1.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    1.2944    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4039    1.6754    1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310    0.2726    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -0.5161    1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -0.9415    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348    1.4911    0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243    1.1060   -1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300   -1.0659   -1.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    0.3915   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729   -0.0820    1.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699   -1.5036    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027   -2.5730   -0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7817   -2.1752    1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1832   -0.5768   -1.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2941   -1.7386   -0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    2.1924    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3626    1.7251   -0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    1.8892    0.9568 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  9 26  1  0
  9 27  1  0
  9 28  1  0
M  END
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PDB for HMDB0031266 (2-Nonanone)

HEADER    PROTEIN                                 10-FEB-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-FEB-20         0                                  
HETATM    1  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.266   4.771   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    9                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    2    8   10                                                  
CONECT   10    9                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
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3D PDB for HMDB0031266 (2-Nonanone)

COMPND    HMDB0031266
HETATM    1  C1  UNL     1       3.781   0.869   0.943  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.645  -0.101   0.605  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.549   0.655  -0.122  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.398  -0.233  -0.491  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.213  -0.847   0.745  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.380  -1.742   0.402  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.485  -0.983  -0.303  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.024   0.115   0.525  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.639   1.519   0.265  1.00  0.00           C  
HETATM   10  O1  UNL     1      -3.805  -0.116   1.451  1.00  0.00           O  
HETATM   11  H1  UNL     1       4.220   1.294   0.008  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.404   1.675   1.584  1.00  0.00           H  
HETATM   13  H3  UNL     1       4.531   0.273   1.502  1.00  0.00           H  
HETATM   14  H4  UNL     1       2.307  -0.516   1.567  1.00  0.00           H  
HETATM   15  H5  UNL     1       3.042  -0.941   0.008  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.235   1.491   0.532  1.00  0.00           H  
HETATM   17  H7  UNL     1       2.024   1.106  -1.016  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.730  -1.066  -1.147  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.324   0.392  -1.056  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.573  -0.082   1.456  1.00  0.00           H  
HETATM   21  H11 UNL     1       0.570  -1.504   1.193  1.00  0.00           H  
HETATM   22  H12 UNL     1      -1.003  -2.573  -0.223  1.00  0.00           H  
HETATM   23  H13 UNL     1      -1.782  -2.175   1.331  1.00  0.00           H  
HETATM   24  H14 UNL     1      -2.183  -0.577  -1.272  1.00  0.00           H  
HETATM   25  H15 UNL     1      -3.294  -1.739  -0.497  1.00  0.00           H  
HETATM   26  H16 UNL     1      -3.522   2.192   0.473  1.00  0.00           H  
HETATM   27  H17 UNL     1      -2.363   1.725  -0.783  1.00  0.00           H  
HETATM   28  H18 UNL     1      -1.846   1.889   0.957  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4   16   17
CONECT    4    5   18   19
CONECT    5    6   20   21
CONECT    6    7   22   23
CONECT    7    8   24   25
CONECT    8    9   10   10
CONECT    9   26   27   28
END
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SMILES for HMDB0031266 (2-Nonanone)

CCCCCCCC(C)=O
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INCHI for HMDB0031266 (2-Nonanone)

InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
beta-NonanoneChEBI
Heptyl methyl ketoneChEBI
Methyl heptyl ketoneChEBI
Methyl N-heptyl ketoneChEBI
N-C7H15COCH3ChEBI
NONANONE-2ChEBI
NSC 14760ChEBI
b-NonanoneGenerator
Β-nonanoneGenerator
Nonan-2-oneHMDB
2-NonanoneChEBI
Chemical FormulaC9H18O
Average Molecular Weight142.2386
Monoisotopic Molecular Weight142.135765198
IUPAC Namenonan-2-one
Traditional Name2-nonanone
CAS Registry Number821-55-6
SMILES
CCCCCCCC(C)=O
InChI Identifier
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChI KeyVKCYHJWLYTUGCC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentKetones
Alternative Parents
Substituents
  • Ketone
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-15 °CNot Available
Boiling Point192.00 °C. @ 743.00 mm HgThe Good Scents Company Information System
Water Solubility0.37 mg/mL at 25 °CNot Available
LogP3.14Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Feces
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Clostridium difficile infection		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Nonalcoholic fatty liver disease (NAFLD)		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothUlcerative colitis details
FecesDetected and Quantified0-141733.678 nmol/g wet fecesChildren (1-13 years old)Not Specified
Treated celiac disease		 details
Associated Disorders and Diseases
Disease References
Nonalcoholic fatty liver disease
  1. Raman M, Ahmed I, Gillevet PM, Probert CS, Ratcliffe NM, Smith S, Greenwood R, Sikaroodi M, Lam V, Crotty P, Bailey J, Myers RP, Rioux KP: Fecal microbiome and volatile organic compound metabolome in obese humans with nonalcoholic fatty liver disease. Clin Gastroenterol Hepatol. 2013 Jul;11(7):868-75.e1-3. doi: 10.1016/j.cgh.2013.02.015. Epub 2013 Feb 27. [PubMed:23454028 ]
Celiac disease
  1. Di Cagno R, De Angelis M, De Pasquale I, Ndagijimana M, Vernocchi P, Ricciuti P, Gagliardi F, Laghi L, Crecchio C, Guerzoni ME, Gobbetti M, Francavilla R: Duodenal and faecal microbiota of celiac children: molecular, phenotype and metabolome characterization. BMC Microbiol. 2011 Oct 4;11:219. doi: 10.1186/1471-2180-11-219. [PubMed:21970810 ]
Crohn's disease
  1. Ahmed I, Greenwood R, Costello B, Ratcliffe N, Probert CS: Investigation of faecal volatile organic metabolites as novel diagnostic biomarkers in inflammatory bowel disease. Aliment Pharmacol Ther. 2016 Mar;43(5):596-611. doi: 10.1111/apt.13522. Epub 2016 Jan 25. [PubMed:26806034 ]
Ulcerative colitis
  1. Ahmed I, Greenwood R, Costello B, Ratcliffe N, Probert CS: Investigation of faecal volatile organic metabolites as novel diagnostic biomarkers in inflammatory bowel disease. Aliment Pharmacol Ther. 2016 Mar;43(5):596-611. doi: 10.1111/apt.13522. Epub 2016 Jan 25. [PubMed:26806034 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003308
KNApSAcK IDC00029463
Chemspider ID12632
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNonanone
METLIN IDNot Available
PubChem Compound13187
PDB IDNot Available
ChEBI ID77927
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1008331
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.. .