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Showing metabocard for 3,5-Dimethoxytoluene (HMDB0059853)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-03-07 21:33:05 UTC
Update Date2023-02-21 17:29:30 UTC
HMDB IDHMDB0059853
Secondary Accession Numbers
  • HMDB59853
Metabolite Identification
Common Name3,5-Dimethoxytoluene
Description3,5-Dimethoxytoluene, also known as DMT or orcinol dimethyl ether, belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 3,5-Dimethoxytoluene is an extremely weak basic (essentially neutral) compound (based on its pKa). These are organic compounds contaiing a methoxybenzene or a derivative thereof.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0059853 (3,5-Dimethoxytoluene)

77844
  Mrv0541 12191221372D          

 23 23  0  0  0  0            999 V2000
    1.6500   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215    0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522   -1.4742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637   -0.5883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1385   -1.8563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615   -1.8563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0493    1.4133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5378    2.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
Download

3D MOL for HMDB0059853 (3,5-Dimethoxytoluene)

HMDB0059853
     RDKit          3D
3,5-Dimethoxytoluene
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.3278   -1.6116    0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -0.3003    0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895   -0.0491    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    1.2457   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    1.5676   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985    2.9970   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    0.5727   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082   -0.7292    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064   -1.7685    0.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -1.5330    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5363   -1.0408    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930   -1.9341    1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755   -2.2782   -0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255   -1.6379    0.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8258    2.0288   -0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488    3.1873   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2461    3.5304    0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0883    3.3720   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466    0.8362   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516   -1.0240    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6665   -2.4604   -0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3332   -0.8884   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8342   -2.0821    0.3245 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
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
M  END
Download

3D SDF for HMDB0059853 (3,5-Dimethoxytoluene)

77844
  Mrv0541 12191221372D          

 23 23  0  0  0  0            999 V2000
    1.6500   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215    0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522   -1.4742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637   -0.5883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1385   -1.8563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615   -1.8563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0493    1.4133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5378    2.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0059853

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]C1=C(OC([H])([H])[H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3

> <INCHI_KEY>
RIZBLVRXRWHLFA-UHFFFAOYSA-N

> <FORMULA>
C9H12O2

> <MOLECULAR_WEIGHT>
152.1904

> <EXACT_MASS>
152.083729628

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
16.83841989566584

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-dimethoxy-5-methylbenzene

> <ALOGPS_LOGP>
2.53

> <JCHEM_LOGP>
2.171324674

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.534991701295333

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
44.0256

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.18e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-dimethoxy-5-methylbenzene

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0059853 (3,5-Dimethoxytoluene)

HMDB0059853
     RDKit          3D
3,5-Dimethoxytoluene
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.3278   -1.6116    0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -0.3003    0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895   -0.0491    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    1.2457   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    1.5676   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985    2.9970   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    0.5727   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082   -0.7292    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064   -1.7685    0.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -1.5330    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5363   -1.0408    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930   -1.9341    1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755   -2.2782   -0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255   -1.6379    0.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8258    2.0288   -0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488    3.1873   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2461    3.5304    0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0883    3.3720   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466    0.8362   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516   -1.0240    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6665   -2.4604   -0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3332   -0.8884   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8342   -2.0821    0.3245 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
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
M  END
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PDB for HMDB0059853 (3,5-Dimethoxytoluene)

HEADER    PROTEIN                                 19-DEC-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 77844                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-DEC-12         0                                  
HETATM    1  O   UNK     0       3.080  -1.925   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       5.747   2.695   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       7.081  -1.155   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.414  -1.155   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.747   1.155   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.081   0.385   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.747  -1.925   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.414   0.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.415  -1.925   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.080  -3.465   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.081   3.465   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0       7.908   0.862   0.000  0.00  0.00           H+0
HETATM   13  H   UNK     0       5.747  -2.880   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       3.587   0.862   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       7.937  -2.752   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       9.242  -2.402   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0       8.892  -1.098   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0       2.125  -3.465   0.000  0.00  0.00           H+0
HETATM   19  H   UNK     0       3.080  -4.420   0.000  0.00  0.00           H+0
HETATM   20  H   UNK     0       4.035  -3.465   0.000  0.00  0.00           H+0
HETATM   21  H   UNK     0       7.559   2.638   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0       7.908   3.942   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       6.604   4.292   0.000  0.00  0.00           H+0
CONECT    1    4   10                                                       
CONECT    2    5   11                                                       
CONECT    3    6    7    9                                                  
CONECT    4    1    7    8                                                  
CONECT    5    2    6    8                                                  
CONECT    6    3    5   12                                                  
CONECT    7    3    4   13                                                  
CONECT    8    4    5   14                                                  
CONECT    9    3   15   16   17                                             
CONECT   10    1   18   19   20                                             
CONECT   11    2   21   22   23                                             
CONECT   12    6                                                            
CONECT   13    7                                                            
CONECT   14    8                                                            
CONECT   15    9                                                            
CONECT   16    9                                                            
CONECT   17    9                                                            
CONECT   18   10                                                            
CONECT   19   10                                                            
CONECT   20   10                                                            
CONECT   21   11                                                            
CONECT   22   11                                                            
CONECT   23   11                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END
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3D PDB for HMDB0059853 (3,5-Dimethoxytoluene)

COMPND    HMDB0059853
HETATM    1  C1  UNL     1       3.328  -1.612   0.420  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.843  -0.300   0.217  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.490  -0.049   0.099  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.056   1.246  -0.099  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.280   1.568  -0.226  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.598   2.997  -0.434  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.213   0.573  -0.154  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.808  -0.729   0.043  1.00  0.00           C  
HETATM    9  O2  UNL     1      -1.706  -1.768   0.123  1.00  0.00           O  
HETATM   10  C8  UNL     1      -3.096  -1.533   0.004  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.536  -1.041   0.169  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.093  -1.934   1.456  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.775  -2.278  -0.271  1.00  0.00           H  
HETATM   14  H3  UNL     1       4.425  -1.638   0.240  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.826   2.029  -0.153  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.649   3.187  -0.651  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.246   3.530   0.495  1.00  0.00           H  
HETATM   18  H7  UNL     1       0.088   3.372  -1.239  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.247   0.836  -0.254  1.00  0.00           H  
HETATM   20  H9  UNL     1      -3.452  -1.024   0.916  1.00  0.00           H  
HETATM   21  H10 UNL     1      -3.666  -2.460  -0.130  1.00  0.00           H  
HETATM   22  H11 UNL     1      -3.333  -0.888  -0.892  1.00  0.00           H  
HETATM   23  H12 UNL     1       0.834  -2.082   0.324  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4   11
CONECT    4    5   15
CONECT    5    6    7    7
CONECT    6   16   17   18
CONECT    7    8   19
CONECT    8    9   11   11
CONECT    9   10
CONECT   10   20   21   22
CONECT   11   23
END
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SMILES for HMDB0059853 (3,5-Dimethoxytoluene)

[H]C1=C(OC([H])([H])[H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])[H]
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INCHI for HMDB0059853 (3,5-Dimethoxytoluene)

InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1,5-Dimethoxy-3-methylbenzeneChEBI
5-Methylresorcinol dimethyl etherChEBI
DMTChEBI
Orcinol dimethyl etherChEBI
Chemical FormulaC9H12O2
Average Molecular Weight152.1904
Monoisotopic Molecular Weight152.083729628
IUPAC Name1,3-dimethoxy-5-methylbenzene
Traditional Name1,3-dimethoxy-5-methylbenzene
CAS Registry NumberNot Available
SMILES
[H]C1=C(OC([H])([H])[H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])[H]
InChI Identifier
InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChI KeyRIZBLVRXRWHLFA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassMethoxybenzenes
Direct ParentDimethoxybenzenes
Alternative Parents
Substituents
  • M-dimethoxybenzene
  • Dimethoxybenzene
  • Phenoxy compound
  • Phenol ether
  • Anisole
  • Toluene
  • Alkyl aryl ether
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
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 IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDCPD-9502
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound77844
PDB IDNot Available
ChEBI ID141217
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 ReferencesNot Available