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Showing metabocard for 5-Hexyldihydro-5-methyl-2(3H)-furanone (HMDB0036140)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 21:12:17 UTC
Update Date2023-02-21 17:25:07 UTC
HMDB IDHMDB0036140
Secondary Accession Numbers
  • HMDB36140
Metabolite Identification
Common Name5-Hexyldihydro-5-methyl-2(3H)-furanone
Description5-Hexyldihydro-5-methyl-2(3H)-furanone belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Based on a literature review very few articles have been published on 5-Hexyldihydro-5-methyl-2(3H)-furanone.
Structure
Data?1677000307
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

  Mrv0541 02241215112D          

 13 13  0  0  0  0            999 V2000
    1.0043   -0.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   -0.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -1.2962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -0.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200   -1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597    0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843    0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0973    1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220    1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

HMDB0036140
     RDKit          3D
5-Hexyldihydro-5-methyl-2(3H)-furanone
 33 33  0  0  0  0  0  0  0  0999 V2000
    4.2086   -0.1404   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9686   -0.5397    0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7221    0.1797    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -0.2662    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4191    0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7807   -0.0911   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388    0.5168   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0476    2.0024   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039   -0.0924   -1.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -1.3794   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285   -0.9466    0.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2640   -1.4462    1.8801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246    0.0967    1.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    0.8877   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -0.7922   -1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827   -0.1906   -1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348   -0.2732    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7421   -1.6197    0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543   -0.1413    2.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.2722    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919   -1.3528    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7683   -0.0654   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309    1.5049    0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    0.0963    1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7998   -1.1996   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570    0.1421   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    2.4142    0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0440    2.4514   -0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774    2.2222   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9874    0.5533   -1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -0.3455   -2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4401   -1.7899   -0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6225   -2.0869   -0.5942 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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  8 27  1  0
  8 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
M  END
Download

3D SDF for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

  Mrv0541 02241215112D          

 13 13  0  0  0  0            999 V2000
    1.0043   -0.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   -0.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -1.2962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -0.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200   -1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597    0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843    0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0973    1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220    1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036140

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCC1(C)CCC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3

> <INCHI_KEY>
ALWUKGXLBSQSMA-UHFFFAOYSA-N

> <FORMULA>
C11H20O2

> <MOLECULAR_WEIGHT>
184.2753

> <EXACT_MASS>
184.146329884

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
22.223493101375283

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-hexyl-5-methyloxolan-2-one

> <ALOGPS_LOGP>
3.73

> <JCHEM_LOGP>
3.1475000536666657

> <ALOGPS_LOGS>
-3.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.050847039072197

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
52.293099999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.43e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hexyl-5-methyloxolan-2-one

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

HMDB0036140
     RDKit          3D
5-Hexyldihydro-5-methyl-2(3H)-furanone
 33 33  0  0  0  0  0  0  0  0999 V2000
    4.2086   -0.1404   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9686   -0.5397    0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7221    0.1797    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -0.2662    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4191    0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7807   -0.0911   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388    0.5168   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0476    2.0024   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039   -0.0924   -1.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -1.3794   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285   -0.9466    0.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2640   -1.4462    1.8801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246    0.0967    1.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    0.8877   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -0.7922   -1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827   -0.1906   -1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348   -0.2732    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7421   -1.6197    0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543   -0.1413    2.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.2722    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919   -1.3528    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7683   -0.0654   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309    1.5049    0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    0.0963    1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7998   -1.1996   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570    0.1421   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    2.4142    0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0440    2.4514   -0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774    2.2222   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9874    0.5533   -1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -0.3455   -2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4401   -1.7899   -0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6225   -2.0869   -0.5942 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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  8 27  1  0
  8 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
M  END
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PDB for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       1.875  -0.089   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.477  -1.579   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.769  -2.420   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       3.964  -1.451   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.409  -0.014   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.454  -1.847   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.037  -2.132   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.705  -0.248   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.834  -0.248   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.605   1.086   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.144   1.086   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.915   2.420   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.454   2.420   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    7    8                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    1    4                                                       
CONECT    6    4                                                            
CONECT    7    2                                                            
CONECT    8    2    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END
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3D PDB for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

COMPND    HMDB0036140
HETATM    1  C1  UNL     1       4.209  -0.140  -0.888  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.969  -0.540   0.563  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.722   0.180   1.027  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.583  -0.266   0.131  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.279   0.419   0.535  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.781  -0.091  -0.413  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.139   0.517  -0.118  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.048   2.002  -0.261  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.104  -0.092  -1.136  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.478  -1.379  -0.430  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.529  -0.947   0.988  1.00  0.00           C  
HETATM   12  O1  UNL     1      -4.264  -1.446   1.880  1.00  0.00           O  
HETATM   13  O2  UNL     1      -2.625   0.097   1.140  1.00  0.00           O  
HETATM   14  H1  UNL     1       3.837   0.888  -1.029  1.00  0.00           H  
HETATM   15  H2  UNL     1       3.603  -0.792  -1.569  1.00  0.00           H  
HETATM   16  H3  UNL     1       5.283  -0.191  -1.133  1.00  0.00           H  
HETATM   17  H4  UNL     1       4.835  -0.273   1.198  1.00  0.00           H  
HETATM   18  H5  UNL     1       3.742  -1.620   0.550  1.00  0.00           H  
HETATM   19  H6  UNL     1       2.454  -0.141   2.055  1.00  0.00           H  
HETATM   20  H7  UNL     1       2.825   1.272   1.049  1.00  0.00           H  
HETATM   21  H8  UNL     1       1.392  -1.353   0.238  1.00  0.00           H  
HETATM   22  H9  UNL     1       1.768  -0.065  -0.935  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.331   1.505   0.424  1.00  0.00           H  
HETATM   24  H11 UNL     1       0.010   0.096   1.573  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.800  -1.200  -0.338  1.00  0.00           H  
HETATM   26  H13 UNL     1      -0.457   0.142  -1.446  1.00  0.00           H  
HETATM   27  H14 UNL     1      -1.674   2.414   0.693  1.00  0.00           H  
HETATM   28  H15 UNL     1      -3.044   2.451  -0.531  1.00  0.00           H  
HETATM   29  H16 UNL     1      -1.277   2.222  -1.038  1.00  0.00           H  
HETATM   30  H17 UNL     1      -3.987   0.553  -1.301  1.00  0.00           H  
HETATM   31  H18 UNL     1      -2.572  -0.346  -2.088  1.00  0.00           H  
HETATM   32  H19 UNL     1      -4.440  -1.790  -0.789  1.00  0.00           H  
HETATM   33  H20 UNL     1      -2.623  -2.087  -0.594  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   17   18
CONECT    3    4   19   20
CONECT    4    5   21   22
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8    9   13
CONECT    8   27   28   29
CONECT    9   10   30   31
CONECT   10   11   32   33
CONECT   11   12   12   13
END
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SMILES for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

CCCCCCC1(C)CCC(=O)O1
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INCHI for HMDB0036140 (5-Hexyldihydro-5-methyl-2(3H)-furanone)

InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
4-Hydroxy-4-methyldecanoic acid lactoneHMDB
4-Methyl-4-decanolideHMDB
g-MethyldecalactoneHMDB
Chemical FormulaC11H20O2
Average Molecular Weight184.2753
Monoisotopic Molecular Weight184.146329884
IUPAC Name5-hexyl-5-methyloxolan-2-one
Traditional Name5-hexyl-5-methyloxolan-2-one
CAS Registry Number7011-83-8
SMILES
CCCCCCC1(C)CCC(=O)O1
InChI Identifier
InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3
InChI KeyALWUKGXLBSQSMA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactones
Sub ClassGamma butyrolactones
Direct ParentGamma butyrolactones
Alternative Parents
Substituents
  • Gamma butyrolactone
  • Tetrahydrofuran
  • Carboxylic acid ester
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point135.00 °C. @ 0.50 mm HgThe Good Scents Company Information System
Water Solubility138.1 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.832 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
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 IDFDB015046
KNApSAcK IDNot Available
Chemspider ID251275
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound285097
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1010251
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.. .