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Showing metabocard for 2-Methoxyxanthone (HMDB0032998)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:53:09 UTC
Update Date2022-03-07 02:53:33 UTC
HMDB IDHMDB0032998
Secondary Accession Numbers
  • HMDB32998
Metabolite Identification
Common Name2-Methoxyxanthone
Description2-Methoxyxanthone belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. 2-Methoxyxanthone has been detected, but not quantified in, fruits and herbs and spices. This could make 2-methoxyxanthone a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 2-Methoxyxanthone.
Structure
Data?1563862336
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032998 (2-Methoxyxanthone)

  Mrv0541 05061306512D          

 17 19  0  0  0  0            999 V2000
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    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    2.4750    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  2  0  0  0  0
  9  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16  1  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0032998 (2-Methoxyxanthone)

HMDB0032998
     RDKit          3D
2-Methoxyxanthone
 27 29  0  0  0  0  0  0  0  0999 V2000
    4.6856    0.8325    0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901   -0.4363    0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391   -0.6842    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3003   -1.9782    0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487   -2.2355    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0047   -1.2437    0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729   -1.5401    0.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831   -0.6030    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280   -0.9695    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4857    0.0128    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0684    1.3329    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459    1.6846    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869    0.7176    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511    1.0767    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761    2.2673    0.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673    0.0559    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8282    0.3322    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724    1.5311   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6935    1.2574    1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360    0.7743   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9681   -2.8358    0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -3.2569    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7938   -2.0166    0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5386   -0.2683    0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8471    2.0757   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399    2.7378    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136    1.3794    0.2122 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  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17  3  1  0
 16  6  1  0
 13  8  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  5 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 12 26  1  0
 17 27  1  0
M  END
Download

3D SDF for HMDB0032998 (2-Methoxyxanthone)

  Mrv0541 05061306512D          

 17 19  0  0  0  0            999 V2000
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    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    2.4750    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  2  0  0  0  0
  9  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16  1  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032998

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC2=C(OC3=CC=CC=C3C2=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3

> <INCHI_KEY>
DVZCOQQFPCMIPO-UHFFFAOYSA-N

> <FORMULA>
C14H10O3

> <MOLECULAR_WEIGHT>
226.2274

> <EXACT_MASS>
226.062994186

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
23.44620740625432

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-methoxy-9H-xanthen-9-one

> <ALOGPS_LOGP>
3.19

> <JCHEM_LOGP>
2.801968954666667

> <ALOGPS_LOGS>
-4.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.82088509097043

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
63.27950000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.23e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methoxyxanthen-9-one

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0032998 (2-Methoxyxanthone)

HMDB0032998
     RDKit          3D
2-Methoxyxanthone
 27 29  0  0  0  0  0  0  0  0999 V2000
    4.6856    0.8325    0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901   -0.4363    0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391   -0.6842    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3003   -1.9782    0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487   -2.2355    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0047   -1.2437    0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729   -1.5401    0.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831   -0.6030    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280   -0.9695    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4857    0.0128    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0684    1.3329    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459    1.6846    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869    0.7176    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511    1.0767    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761    2.2673    0.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673    0.0559    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8282    0.3322    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724    1.5311   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6935    1.2574    1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360    0.7743   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9681   -2.8358    0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -3.2569    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7938   -2.0166    0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5386   -0.2683    0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8471    2.0757   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399    2.7378    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136    1.3794    0.2122 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  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17  3  1  0
 16  6  1  0
 13  8  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  5 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 12 26  1  0
 17 27  1  0
M  END
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PDB for HMDB0032998 (2-Methoxyxanthone)

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      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
CONECT    1   16                                                            
CONECT    2    3    4                                                       
CONECT    3    2    5                                                       
CONECT    4    2   10                                                       
CONECT    5    3   12                                                       
CONECT    6    7    9                                                       
CONECT    7    6   13                                                       
CONECT    8    9   11                                                       
CONECT    9    6    8   16                                                  
CONECT   10    4   12   14                                                  
CONECT   11    8   13   14                                                  
CONECT   12    5   10   17                                                  
CONECT   13    7   11   17                                                  
CONECT   14   10   11   15                                                  
CONECT   15   14                                                            
CONECT   16    1    9                                                       
CONECT   17   12   13                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   38    0
END
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3D PDB for HMDB0032998 (2-Methoxyxanthone)

COMPND    HMDB0032998
HETATM    1  C1  UNL     1       4.686   0.833   0.312  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.090  -0.436   0.386  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.739  -0.684   0.370  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.300  -1.978   0.450  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.949  -2.235   0.435  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.005  -1.244   0.343  1.00  0.00           C  
HETATM    7  O2  UNL     1      -1.273  -1.540   0.333  1.00  0.00           O  
HETATM    8  C6  UNL     1      -2.183  -0.603   0.246  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.528  -0.970   0.239  1.00  0.00           C  
HETATM   10  C8  UNL     1      -4.486   0.013   0.147  1.00  0.00           C  
HETATM   11  C9  UNL     1      -4.068   1.333   0.066  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.746   1.685   0.073  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.787   0.718   0.164  1.00  0.00           C  
HETATM   14  C12 UNL     1      -0.451   1.077   0.171  1.00  0.00           C  
HETATM   15  O3  UNL     1      -0.076   2.267   0.097  1.00  0.00           O  
HETATM   16  C13 UNL     1       0.467   0.056   0.264  1.00  0.00           C  
HETATM   17  C14 UNL     1       1.828   0.332   0.278  1.00  0.00           C  
HETATM   18  H1  UNL     1       4.072   1.531  -0.323  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.693   1.257   1.337  1.00  0.00           H  
HETATM   20  H3  UNL     1       5.736   0.774  -0.094  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.968  -2.836   0.525  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.570  -3.257   0.496  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.794  -2.017   0.305  1.00  0.00           H  
HETATM   24  H7  UNL     1      -5.539  -0.268   0.141  1.00  0.00           H  
HETATM   25  H8  UNL     1      -4.847   2.076  -0.005  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.440   2.738   0.008  1.00  0.00           H  
HETATM   27  H10 UNL     1       2.114   1.379   0.212  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5   21
CONECT    5    6    6   22
CONECT    6    7   16
CONECT    7    8
CONECT    8    9    9   13
CONECT    9   10   23
CONECT   10   11   11   24
CONECT   11   12   25
CONECT   12   13   13   26
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17   17
CONECT   17   27
END
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SMILES for HMDB0032998 (2-Methoxyxanthone)

COC1=CC2=C(OC3=CC=CC=C3C2=O)C=C1
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INCHI for HMDB0032998 (2-Methoxyxanthone)

InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Methoxy-9H-xanthen-9-oneHMDB
2-Methoxy-xanthen-9-oneHMDB
2-Methoxyxanthen-9-oneHMDB
Chemical FormulaC14H10O3
Average Molecular Weight226.2274
Monoisotopic Molecular Weight226.062994186
IUPAC Name2-methoxy-9H-xanthen-9-one
Traditional Name2-methoxyxanthen-9-one
CAS Registry Number1214-20-6
SMILES
COC1=CC2=C(OC3=CC=CC=C3C2=O)C=C1
InChI Identifier
InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChI KeyDVZCOQQFPCMIPO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct ParentXanthones
Alternative Parents
Substituents
  • Xanthone
  • Chromone
  • Anisole
  • Pyranone
  • Alkyl aryl ether
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Oxacycle
  • Ether
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point134 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available142.364http://allccs.zhulab.cn/database/detail?ID=AllCCS00001138
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
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 IDFDB010987
KNApSAcK IDC00038230
Chemspider ID64193
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound71034
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.. .