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Showing metabocard for Chlorbenside (HMDB0250091)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:03:50 UTC
Update Date2021-09-26 23:01:19 UTC
HMDB IDHMDB0250091
Secondary Accession NumbersNone
Metabolite Identification
Common NameChlorbenside
DescriptionCHLORBENSIDE, also known as mitox, belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. Based on a literature review very few articles have been published on CHLORBENSIDE. This compound has been identified in human blood as reported by (PMID: 31557052 ). Chlorbenside is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Chlorbenside is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250091 (Chlorbenside)

  Mrv1572004191602132D          

 16 17  0  0  0  0            999 V2000
    5.0013   -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
    5.0013   -0.4125    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
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
 10  1  2  0  0  0  0
 10  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250091 (Chlorbenside)

HMDB0250091
     RDKit          3D
Chlorbenside
 26 27  0  0  0  0  0  0  0  0999 V2000
   -3.9203    3.0427    0.1904 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.5100    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0515    1.2722    0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3374    0.0900    0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928   -0.8917    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9122   -2.1538    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -2.0674   -1.1188 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924   -0.8635   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676    0.4406   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623    1.4022   -0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4884    1.0701    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924    2.3422    0.8195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5946   -0.2260    0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.2103    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.6515   -0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4677    0.5309   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410    2.0344    1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -0.0433    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -2.3194    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810   -2.9816   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    0.7186   -1.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    2.4139   -0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4096   -0.5032    1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330   -2.2461    0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396   -1.4317   -1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2964    0.7217   -1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  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
 11 13  1  0
 13 14  2  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
 14  8  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  9 21  1  0
 10 22  1  0
 13 23  1  0
 14 24  1  0
 15 25  1  0
 16 26  1  0
M  END
Download

3D SDF for HMDB0250091 (Chlorbenside)

  Mrv1572004191602132D          

 16 17  0  0  0  0            999 V2000
    5.0013   -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
    5.0013   -0.4125    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
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
 10  1  2  0  0  0  0
 10  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250091

> <DATABASE_NAME>
hmdb

> <SMILES>
ClC1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2

> <INCHI_KEY>
ZHLKXBJTJHRTTE-UHFFFAOYSA-N

> <FORMULA>
C13H10Cl2S

> <MOLECULAR_WEIGHT>
269.18

> <EXACT_MASS>
267.9880269

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
27.906297581501935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-chloro-4-{[(4-chlorophenyl)sulfanyl]methyl}benzene

> <ALOGPS_LOGP>
5.61

> <JCHEM_LOGP>
5.4302474599999995

> <ALOGPS_LOGS>
-6.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
73.0883

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.03e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorbenside

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0250091 (Chlorbenside)

HMDB0250091
     RDKit          3D
Chlorbenside
 26 27  0  0  0  0  0  0  0  0999 V2000
   -3.9203    3.0427    0.1904 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.5100    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0515    1.2722    0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3374    0.0900    0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928   -0.8917    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9122   -2.1538    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -2.0674   -1.1188 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924   -0.8635   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676    0.4406   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623    1.4022   -0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4884    1.0701    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924    2.3422    0.8195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5946   -0.2260    0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.2103    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.6515   -0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4677    0.5309   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410    2.0344    1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -0.0433    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -2.3194    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810   -2.9816   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    0.7186   -1.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    2.4139   -0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4096   -0.5032    1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330   -2.2461    0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396   -1.4317   -1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2964    0.7217   -1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  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
 11 13  1  0
 13 14  2  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
 14  8  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  9 21  1  0
 10 22  1  0
 13 23  1  0
 14 24  1  0
 15 25  1  0
 16 26  1  0
M  END
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PDB for HMDB0250091 (Chlorbenside)

HEADER    PROTEIN                                 19-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-16         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   14 Cl   UNK     0       8.002   1.540   0.000  0.00  0.00          Cl+0
HETATM   15 Cl   UNK     0       9.336 -11.550   0.000  0.00  0.00          Cl+0
HETATM   16  S   UNK     0       9.336  -5.390   0.000  0.00  0.00           S+0
CONECT    1    3   10                                                       
CONECT    2    4   10                                                       
CONECT    3    1   11                                                       
CONECT    4    2   11                                                       
CONECT    5    7   12                                                       
CONECT    6    8   12                                                       
CONECT    7    5   13                                                       
CONECT    8    6   13                                                       
CONECT    9   10   16                                                       
CONECT   10    1    2    9                                                  
CONECT   11    3    4   14                                                  
CONECT   12    5    6   15                                                  
CONECT   13    7    8   16                                                  
CONECT   14   11                                                            
CONECT   15   12                                                            
CONECT   16    9   13                                                       
MASTER        0    0    0    0    0    0    0    0   16    0   34    0
END
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3D PDB for HMDB0250091 (Chlorbenside)

COMPND    HMDB0250091
HETATM    1 CL1  UNL     1      -3.920   3.043   0.190  1.00  0.00          CL  
HETATM    2  C1  UNL     1      -3.108   1.510   0.069  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.052   1.272   0.923  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.337   0.090   0.912  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.693  -0.892   0.012  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.912  -2.154   0.016  1.00  0.00           C  
HETATM    7  S1  UNL     1       0.510  -2.067  -1.119  1.00  0.00           S  
HETATM    8  C6  UNL     1       1.692  -0.863  -0.539  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.568   0.441  -0.963  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.462   1.402  -0.537  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.488   1.070   0.316  1.00  0.00           C  
HETATM   12 CL2  UNL     1       4.592   2.342   0.819  1.00  0.00          CL  
HETATM   13  C10 UNL     1       3.595  -0.226   0.724  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.715  -1.210   0.314  1.00  0.00           C  
HETATM   15  C12 UNL     1      -2.750  -0.652  -0.842  1.00  0.00           C  
HETATM   16  C13 UNL     1      -3.468   0.531  -0.834  1.00  0.00           C  
HETATM   17  H1  UNL     1      -1.741   2.034   1.655  1.00  0.00           H  
HETATM   18  H2  UNL     1      -0.505  -0.043   1.616  1.00  0.00           H  
HETATM   19  H3  UNL     1      -0.523  -2.319   1.051  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.581  -2.982  -0.235  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.755   0.719  -1.641  1.00  0.00           H  
HETATM   22  H6  UNL     1       2.306   2.414  -0.911  1.00  0.00           H  
HETATM   23  H7  UNL     1       4.410  -0.503   1.404  1.00  0.00           H  
HETATM   24  H8  UNL     1       2.833  -2.246   0.666  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.040  -1.432  -1.564  1.00  0.00           H  
HETATM   26  H10 UNL     1      -4.296   0.722  -1.502  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   16
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   15
CONECT    6    7   19   20
CONECT    7    8
CONECT    8    9    9   14
CONECT    9   10   21
CONECT   10   11   11   22
CONECT   11   12   13
CONECT   13   14   14   23
CONECT   14   24
CONECT   15   16   16   25
CONECT   16   26
END
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SMILES for HMDB0250091 (Chlorbenside)

ClC1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1
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INCHI for HMDB0250091 (Chlorbenside)

InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
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Synonyms
ValueSource
4-Chlorobenzyl 4-chlorophenyl sulfideKegg
4-Chlorobenzyl 4-chlorophenyl sulphideGenerator
MitoxMeSH
1-chloro-4-[(4-Chlorophenyl)methylsulphanyl]benzeneGenerator
ChlorbensideMeSH
Chemical FormulaC13H10Cl2S
Average Molecular Weight269.18
Monoisotopic Molecular Weight267.9880269
IUPAC Name1-chloro-4-{[(4-chlorophenyl)sulfanyl]methyl}benzene
Traditional Namechlorbenside
CAS Registry NumberNot Available
SMILES
ClC1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1
InChI Identifier
InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChI KeyZHLKXBJTJHRTTE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassThioethers
Sub ClassAryl thioethers
Direct ParentAryl thioethers
Alternative Parents
Substituents
  • Aryl thioether
  • Thiophenol ether
  • Alkylarylthioether
  • Halobenzene
  • Chlorobenzene
  • Benzenoid
  • Monocyclic benzene moiety
  • Aryl halide
  • Aryl chloride
  • Sulfenyl compound
  • Hydrocarbon derivative
  • Organochloride
  • Organohalogen 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
PropertyValueSource
logP5.61ALOGPS
logP5.43ChemAxon
logS-6.4ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity73.09 m³·mol⁻¹ChemAxon
Polarizability27.91 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
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 ID7357
KEGG Compound IDC14584
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7639
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. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]