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Showing metabocard for Ciamexon (HMDB0250225)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:12:27 UTC
Update Date2021-09-26 23:01:34 UTC
HMDB IDHMDB0250225
Secondary Accession NumbersNone
Metabolite Identification
Common NameCiamexon
DescriptionCiamexon belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. Based on a literature review very few articles have been published on Ciamexon. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ciamexon is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ciamexon 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 HMDB0250225 (Ciamexon)

  Mrv1652309112109122D          

 15 16  0  0  0  0            999 V2000
    2.4454    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    4.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    3.1895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250225 (Ciamexon)

HMDB0250225
     RDKit          3D
Ciamexon
 28 29  0  0  0  0  0  0  0  0999 V2000
   -1.2325    2.5608   -2.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099    1.6115   -1.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263    0.6121   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2919    0.2664   -0.3899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5834   -0.7648    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0257   -1.0383    0.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6079   -1.4896    1.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769   -1.1238    0.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673   -0.0987   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    0.2324   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3743    0.3991    0.3749 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452   -0.0517    1.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    0.0749    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2611   -1.1678   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6358   -2.1787   -0.6283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1529    2.9907   -1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291    2.0859   -3.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154    3.4780   -2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6967   -0.4095    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1753   -0.7045    1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384   -2.1060    0.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165   -2.2804    1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -1.7353    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499    0.9313   -1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766   -0.7789   -1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533   -1.0452    1.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    0.7958    2.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    0.9341    0.3721 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  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  3  0
  9  3  1  0
 13 11  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  6 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
 10 24  1  0
 10 25  1  0
 12 26  1  0
 12 27  1  0
 13 28  1  0
M  END
Download

3D SDF for HMDB0250225 (Ciamexon)

  Mrv1652309112109122D          

 15 16  0  0  0  0            999 V2000
    2.4454    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    4.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    3.1895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250225

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(CN2CC2C#N)C=CC(C)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C11H13N3O/c1-8-3-4-9(11(13-8)15-2)6-14-7-10(14)5-12/h3-4,10H,6-7H2,1-2H3

> <INCHI_KEY>
KOYMTVWMCXDJNV-UHFFFAOYSA-N

> <FORMULA>
C11H13N3O

> <MOLECULAR_WEIGHT>
203.245

> <EXACT_MASS>
203.105862051

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
21.50955321491053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(2-methoxy-6-methylpyridin-3-yl)methyl]aziridine-2-carbonitrile

> <ALOGPS_LOGP>
1.01

> <JCHEM_LOGP>
0.8414901086666664

> <ALOGPS_LOGS>
-1.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.4533681853298894

> <JCHEM_POLAR_SURFACE_AREA>
48.92

> <JCHEM_REFRACTIVITY>
56.652200000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.98e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(2-methoxy-6-methylpyridin-3-yl)methyl]aziridine-2-carbonitrile

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250225 (Ciamexon)

HMDB0250225
     RDKit          3D
Ciamexon
 28 29  0  0  0  0  0  0  0  0999 V2000
   -1.2325    2.5608   -2.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099    1.6115   -1.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263    0.6121   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2919    0.2664   -0.3899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5834   -0.7648    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0257   -1.0383    0.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6079   -1.4896    1.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769   -1.1238    0.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673   -0.0987   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    0.2324   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3743    0.3991    0.3749 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452   -0.0517    1.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    0.0749    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2611   -1.1678   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6358   -2.1787   -0.6283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1529    2.9907   -1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291    2.0859   -3.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154    3.4780   -2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6967   -0.4095    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1753   -0.7045    1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384   -2.1060    0.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165   -2.2804    1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -1.7353    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499    0.9313   -1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766   -0.7789   -1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533   -1.0452    1.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    0.7958    2.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    0.9341    0.3721 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  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  3  0
  9  3  1  0
 13 11  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  6 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
 10 24  1  0
 10 25  1  0
 12 26  1  0
 12 27  1  0
 13 28  1  0
M  END
Download

PDB for HMDB0250225 (Ciamexon)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       4.565  10.574   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.231   9.804   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       3.231   8.264   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       1.897   7.494   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.564   8.264   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.564   9.804   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.897  10.574   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.770   7.494   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -0.770   5.954   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.540   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.874   3.850   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -4.207   3.080   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       1.897   5.954   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.564   5.184   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   14                                                  
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9   11                                                       
CONECT   11   10    9   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14    4   15                                                       
CONECT   15   14                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   32    0
END
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3D PDB for HMDB0250225 (Ciamexon)

COMPND    HMDB0250225
HETATM    1  C1  UNL     1      -1.233   2.561  -2.199  1.00  0.00           C  
HETATM    2  O1  UNL     1      -0.610   1.611  -1.426  1.00  0.00           O  
HETATM    3  C2  UNL     1      -1.026   0.612  -0.640  1.00  0.00           C  
HETATM    4  N1  UNL     1      -2.292   0.266  -0.390  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.583  -0.765   0.449  1.00  0.00           C  
HETATM    6  C4  UNL     1      -4.026  -1.038   0.732  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.608  -1.490   1.047  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.277  -1.124   0.786  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.067  -0.099  -0.026  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.419   0.232  -0.537  1.00  0.00           C  
HETATM   11  N2  UNL     1       2.374   0.399   0.375  1.00  0.00           N  
HETATM   12  C9  UNL     1       2.845  -0.052   1.614  1.00  0.00           C  
HETATM   13  C10 UNL     1       3.752   0.075   0.420  1.00  0.00           C  
HETATM   14  C11 UNL     1       4.261  -1.168  -0.161  1.00  0.00           C  
HETATM   15  N3  UNL     1       4.636  -2.179  -0.628  1.00  0.00           N  
HETATM   16  H1  UNL     1      -2.153   2.991  -1.702  1.00  0.00           H  
HETATM   17  H2  UNL     1      -1.529   2.086  -3.178  1.00  0.00           H  
HETATM   18  H3  UNL     1      -0.615   3.478  -2.432  1.00  0.00           H  
HETATM   19  H4  UNL     1      -4.697  -0.409   0.111  1.00  0.00           H  
HETATM   20  H5  UNL     1      -4.175  -0.705   1.812  1.00  0.00           H  
HETATM   21  H6  UNL     1      -4.238  -2.106   0.679  1.00  0.00           H  
HETATM   22  H7  UNL     1      -1.816  -2.280   1.782  1.00  0.00           H  
HETATM   23  H8  UNL     1       0.507  -1.735   1.304  1.00  0.00           H  
HETATM   24  H9  UNL     1       1.350   0.931  -1.359  1.00  0.00           H  
HETATM   25  H10 UNL     1       1.677  -0.779  -1.187  1.00  0.00           H  
HETATM   26  H11 UNL     1       2.653  -1.045   1.990  1.00  0.00           H  
HETATM   27  H12 UNL     1       2.900   0.796   2.392  1.00  0.00           H  
HETATM   28  H13 UNL     1       4.437   0.934   0.372  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4    4    9
CONECT    4    5
CONECT    5    6    7    7
CONECT    6   19   20   21
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10
CONECT   10   11   24   25
CONECT   11   12   13
CONECT   12   13   26   27
CONECT   13   14   28
CONECT   14   15   15   15
END
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SMILES for HMDB0250225 (Ciamexon)

COC1=C(CN2CC2C#N)C=CC(C)=N1
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INCHI for HMDB0250225 (Ciamexon)

InChI=1S/C11H13N3O/c1-8-3-4-9(11(13-8)15-2)6-14-7-10(14)5-12/h3-4,10H,6-7H2,1-2H3
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Synonyms
ValueSource
2-Cyan-1-((2-methoxy-6-methylpyridin-3-yl)methyl)aziridineHMDB
CiamexoneHMDB
Chemical FormulaC11H13N3O
Average Molecular Weight203.245
Monoisotopic Molecular Weight203.105862051
IUPAC Name1-[(2-methoxy-6-methylpyridin-3-yl)methyl]aziridine-2-carbonitrile
Traditional Name1-[(2-methoxy-6-methylpyridin-3-yl)methyl]aziridine-2-carbonitrile
CAS Registry NumberNot Available
SMILES
COC1=C(CN2CC2C#N)C=CC(C)=N1
InChI Identifier
InChI=1S/C11H13N3O/c1-8-3-4-9(11(13-8)15-2)6-14-7-10(14)5-12/h3-4,10H,6-7H2,1-2H3
InChI KeyKOYMTVWMCXDJNV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentAlkyl aryl ethers
Alternative Parents
Substituents
  • Alkyl aryl ether
  • Aralkylamine
  • Methylpyridine
  • Pyridine
  • Heteroaromatic compound
  • Tertiary amine
  • Tertiary aliphatic amine
  • Alpha-aminonitrile
  • Organoheterocyclic compound
  • Nitrile
  • Carbonitrile
  • Aziridine
  • Azacycle
  • Amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
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 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 ID64799
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound71759
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 ]