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Showing metabocard for 7-Acetoxy-6-methoxycoumarin (HMDB0034345)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:09:42 UTC
Update Date2022-03-07 02:54:04 UTC
HMDB IDHMDB0034345
Secondary Accession Numbers
  • HMDB34345
Metabolite Identification
Common Name7-Acetoxy-6-methoxycoumarin
Description7-Acetoxy-6-methoxycoumarin belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Based on a literature review very few articles have been published on 7-Acetoxy-6-methoxycoumarin.
Structure
Data?1563862549
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

  Mrv0541 05061307442D          

 17 18  0  0  0  0            999 V2000
    5.0013   -0.4125    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
    1.4289    0.0000    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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
    2.1434   -0.4125    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   -0.4125    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 15  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

HMDB0034345
     RDKit          3D
7-Acetoxy-6-methoxycoumarin
 27 28  0  0  0  0  0  0  0  0999 V2000
   -1.2164    3.1178   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070    1.7444   -0.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3954    0.8005   -0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9185    1.1851   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.2267    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    0.5805    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -0.4270    0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8321   -1.7517    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056   -2.6794    0.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5688   -2.0191   -0.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -1.1107   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017   -1.4493   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077   -0.5359   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300   -0.8630   -0.6927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515   -1.1353    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3674   -1.4838   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -1.0758    1.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344    3.4788   -0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081    3.4010    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143    3.7110   -0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962    2.2220    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718    1.6151    0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302   -0.1806    0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -2.4895   -0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6850   -0.9817   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794   -2.5872   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0282   -1.3128    0.8458 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13  3  1  0
 11  5  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
 12 24  1  0
 16 25  1  0
 16 26  1  0
 16 27  1  0
M  END
Download

3D SDF for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

  Mrv0541 05061307442D          

 17 18  0  0  0  0            999 V2000
    5.0013   -0.4125    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
    1.4289    0.0000    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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
    2.1434   -0.4125    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   -0.4125    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 15  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034345

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(OC(C)=O)C=C2OC(=O)C=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3

> <INCHI_KEY>
HYCLWDHZALFLJV-UHFFFAOYSA-N

> <FORMULA>
C12H10O5

> <MOLECULAR_WEIGHT>
234.2048

> <EXACT_MASS>
234.05282343

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
22.68163851206242

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-methoxy-2-oxo-2H-chromen-7-yl acetate

> <ALOGPS_LOGP>
1.76

> <JCHEM_LOGP>
1.2329493239999998

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.891307113809466

> <JCHEM_POLAR_SURFACE_AREA>
61.83000000000001

> <JCHEM_REFRACTIVITY>
59.14420000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-methoxy-2-oxochromen-7-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

HMDB0034345
     RDKit          3D
7-Acetoxy-6-methoxycoumarin
 27 28  0  0  0  0  0  0  0  0999 V2000
   -1.2164    3.1178   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070    1.7444   -0.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3954    0.8005   -0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9185    1.1851   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.2267    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    0.5805    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -0.4270    0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8321   -1.7517    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056   -2.6794    0.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5688   -2.0191   -0.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -1.1107   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017   -1.4493   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077   -0.5359   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300   -0.8630   -0.6927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515   -1.1353    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3674   -1.4838   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -1.0758    1.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344    3.4788   -0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081    3.4010    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143    3.7110   -0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962    2.2220    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718    1.6151    0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302   -0.1806    0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -2.4895   -0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6850   -0.9817   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794   -2.5872   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0282   -1.3128    0.8458 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13  3  1  0
 11  5  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
 12 24  1  0
 16 25  1  0
 16 26  1  0
 16 27  1  0
M  END
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PDB for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

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       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   0.000   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       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2   15                                                            
CONECT    3    4    8                                                       
CONECT    4    3   12                                                       
CONECT    5    8   10                                                       
CONECT    6    9   11                                                       
CONECT    7    1   13   16                                                  
CONECT    8    3    5    9                                                  
CONECT    9    6    8   17                                                  
CONECT   10    5   11   15                                                  
CONECT   11    6   10   16                                                  
CONECT   12    4   14   17                                                  
CONECT   13    7                                                            
CONECT   14   12                                                            
CONECT   15    2   10                                                       
CONECT   16    7   11                                                       
CONECT   17    9   12                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END
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3D PDB for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

COMPND    HMDB0034345
HETATM    1  C1  UNL     1      -1.216   3.118  -0.242  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.407   1.744  -0.383  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.395   0.800  -0.292  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.919   1.185  -0.046  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.927   0.227   0.043  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.238   0.581   0.286  1.00  0.00           C  
HETATM    7  C6  UNL     1       4.179  -0.427   0.359  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.832  -1.752   0.197  1.00  0.00           C  
HETATM    9  O2  UNL     1       4.706  -2.679   0.266  1.00  0.00           O  
HETATM   10  O3  UNL     1       2.569  -2.019  -0.031  1.00  0.00           O  
HETATM   11  C8  UNL     1       1.626  -1.111  -0.113  1.00  0.00           C  
HETATM   12  C9  UNL     1       0.302  -1.449  -0.357  1.00  0.00           C  
HETATM   13  C10 UNL     1      -0.708  -0.536  -0.450  1.00  0.00           C  
HETATM   14  O4  UNL     1      -2.030  -0.863  -0.693  1.00  0.00           O  
HETATM   15  C11 UNL     1      -2.951  -1.135   0.302  1.00  0.00           C  
HETATM   16  C12 UNL     1      -4.367  -1.484  -0.006  1.00  0.00           C  
HETATM   17  O5  UNL     1      -2.539  -1.076   1.492  1.00  0.00           O  
HETATM   18  H1  UNL     1      -0.234   3.479  -0.638  1.00  0.00           H  
HETATM   19  H2  UNL     1      -1.308   3.401   0.834  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.014   3.711  -0.777  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.196   2.222   0.082  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.472   1.615   0.407  1.00  0.00           H  
HETATM   23  H6  UNL     1       5.230  -0.181   0.551  1.00  0.00           H  
HETATM   24  H7  UNL     1       0.069  -2.490  -0.479  1.00  0.00           H  
HETATM   25  H8  UNL     1      -4.685  -0.982  -0.942  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.379  -2.587  -0.216  1.00  0.00           H  
HETATM   27  H10 UNL     1      -5.028  -1.313   0.846  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   13
CONECT    4    5   21
CONECT    5    6   11   11
CONECT    6    7    7   22
CONECT    7    8   23
CONECT    8    9    9   10
CONECT   10   11
CONECT   11   12
CONECT   12   13   13   24
CONECT   13   14
CONECT   14   15
CONECT   15   16   17   17
CONECT   16   25   26   27
END
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SMILES for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

COC1=C(OC(C)=O)C=C2OC(=O)C=CC2=C1
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INCHI for HMDB0034345 (7-Acetoxy-6-methoxycoumarin)

InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
6-Methoxy-2-oxo-2H-chromen-7-yl acetic acidHMDB
Chemical FormulaC12H10O5
Average Molecular Weight234.2048
Monoisotopic Molecular Weight234.05282343
IUPAC Name6-methoxy-2-oxo-2H-chromen-7-yl acetate
Traditional Name6-methoxy-2-oxochromen-7-yl acetate
CAS Registry Number56795-51-8
SMILES
COC1=C(OC(C)=O)C=C2OC(=O)C=CC2=C1
InChI Identifier
InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
InChI KeyHYCLWDHZALFLJV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
Sub ClassNot Available
Direct ParentCoumarins and derivatives
Alternative Parents
Substituents
  • Coumarin
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • Alkyl aryl ether
  • Pyranone
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Carboxylic acid ester
  • Lactone
  • Carboxylic acid derivative
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point177 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility729.7 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
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 IDFDB012706
KNApSAcK IDC00054087
Chemspider ID8167192
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound9991610
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1842131
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.. .