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Showing metabocard for p-Hydroxylevamisole (HMDB0246439)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 23:27:32 UTC
Update Date2021-09-26 22:55:31 UTC
HMDB IDHMDB0246439
Secondary Accession NumbersNone
Metabolite Identification
Common Namep-Hydroxylevamisole
Descriptionp-Hydroxylevamisole belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. Based on a literature review a small amount of articles have been published on p-Hydroxylevamisole. This compound has been identified in human blood as reported by (PMID: 31557052 ). P-hydroxylevamisole is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically p-Hydroxylevamisole 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 HMDB0246439 (p-Hydroxylevamisole)

  Mrv1652309112101272D          

 15 17  0  0  0  0            999 V2000
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7987   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  1  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
Download

3D MOL for HMDB0246439 (p-Hydroxylevamisole)

HMDB0246439
     RDKit          3D
p-Hydroxylevamisole
 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.2929   -0.5823   -0.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9406   -0.2867    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9945   -1.2852    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533   -1.0408    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123    0.2416    0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2116    0.5822    0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225    0.3721   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.1777   -0.2130 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -0.3283   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971   -1.6241   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252   -1.7569    1.5093 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9553   -0.7072    1.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.3035    1.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1410    1.2770    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859    1.0117    0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7216   -0.6137   -1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300   -2.3111   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230   -1.8376    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.6168    0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5328   -0.2598   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1603    1.3810   -1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2516    0.5196   -0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -0.3468   -1.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9404   -2.4976   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2920   -1.4849    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845    2.3024    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2149    1.8221    0.2400 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  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  2  0
 15  2  1  0
 13  6  1  0
 12  8  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 14 26  1  0
 15 27  1  0
M  END
Download

3D SDF for HMDB0246439 (p-Hydroxylevamisole)

  Mrv1652309112101272D          

 15 17  0  0  0  0            999 V2000
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7987   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  1  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246439

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=CC=C(C=C1)C1CN2CCSC2=N1

> <INCHI_IDENTIFIER>
InChI=1S/C11H12N2OS/c14-9-3-1-8(2-4-9)10-7-13-5-6-15-11(13)12-10/h1-4,10,14H,5-7H2

> <INCHI_KEY>
QBEDXUHDXKEDES-UHFFFAOYSA-N

> <FORMULA>
C11H12N2OS

> <MOLECULAR_WEIGHT>
220.29

> <EXACT_MASS>
220.067034188

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
23.31918309954843

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenol

> <ALOGPS_LOGP>
1.82

> <JCHEM_LOGP>
2.0546615799999994

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.478164771571716

> <JCHEM_PKA_STRONGEST_BASIC>
6.973721844929794

> <JCHEM_POLAR_SURFACE_AREA>
35.83

> <JCHEM_REFRACTIVITY>
62.05930000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.56e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0246439 (p-Hydroxylevamisole)

HMDB0246439
     RDKit          3D
p-Hydroxylevamisole
 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.2929   -0.5823   -0.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9406   -0.2867    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9945   -1.2852    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533   -1.0408    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123    0.2416    0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2116    0.5822    0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225    0.3721   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.1777   -0.2130 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -0.3283   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971   -1.6241   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252   -1.7569    1.5093 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9553   -0.7072    1.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.3035    1.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1410    1.2770    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859    1.0117    0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7216   -0.6137   -1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300   -2.3111   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230   -1.8376    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.6168    0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5328   -0.2598   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1603    1.3810   -1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2516    0.5196   -0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -0.3468   -1.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9404   -2.4976   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2920   -1.4849    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845    2.3024    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2149    1.8221    0.2400 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  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  2  0
 15  2  1  0
 13  6  1  0
 12  8  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 14 26  1  0
 15 27  1  0
M  END
Download

PDB for HMDB0246439 (p-Hydroxylevamisole)

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       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM    3  S   UNK     0       2.370   0.770   0.000  0.00  0.00           S+0
HETATM    4  C   UNK     0       3.834   0.294   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       5.299   0.770   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       6.204  -0.476   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       3.834  -1.246   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       7.744  -0.476   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.514   0.858   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.054   0.858   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.824  -0.476   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.054  -1.810   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.514  -1.810   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.364  -0.476   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7    4    1                                                  
CONECT    9    6   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
CONECT   15   12                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   34    0
END
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3D PDB for HMDB0246439 (p-Hydroxylevamisole)

COMPND    HMDB0246439
HETATM    1  O1  UNL     1      -5.293  -0.582  -0.093  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.941  -0.287   0.070  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.995  -1.285   0.071  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.653  -1.041   0.228  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.212   0.242   0.392  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.212   0.582   0.565  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.023   0.372  -0.699  1.00  0.00           C  
HETATM    8  N1  UNL     1       2.284  -0.178  -0.213  1.00  0.00           N  
HETATM    9  C7  UNL     1       3.637  -0.328  -0.596  1.00  0.00           C  
HETATM   10  C8  UNL     1       4.197  -1.624  -0.107  1.00  0.00           C  
HETATM   11  S1  UNL     1       3.325  -1.757   1.509  1.00  0.00           S  
HETATM   12  C9  UNL     1       1.955  -0.707   1.058  1.00  0.00           C  
HETATM   13  N2  UNL     1       0.828  -0.304   1.496  1.00  0.00           N  
HETATM   14  C10 UNL     1      -2.141   1.277   0.396  1.00  0.00           C  
HETATM   15  C11 UNL     1      -3.486   1.012   0.237  1.00  0.00           C  
HETATM   16  H1  UNL     1      -5.722  -0.614  -1.023  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.330  -2.311  -0.059  1.00  0.00           H  
HETATM   18  H3  UNL     1      -0.923  -1.838   0.226  1.00  0.00           H  
HETATM   19  H4  UNL     1       0.329   1.617   0.940  1.00  0.00           H  
HETATM   20  H5  UNL     1       0.533  -0.260  -1.436  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.160   1.381  -1.148  1.00  0.00           H  
HETATM   22  H7  UNL     1       4.252   0.520  -0.233  1.00  0.00           H  
HETATM   23  H8  UNL     1       3.728  -0.347  -1.709  1.00  0.00           H  
HETATM   24  H9  UNL     1       3.940  -2.498  -0.699  1.00  0.00           H  
HETATM   25  H10 UNL     1       5.292  -1.485   0.058  1.00  0.00           H  
HETATM   26  H11 UNL     1      -1.785   2.302   0.527  1.00  0.00           H  
HETATM   27  H12 UNL     1      -4.215   1.822   0.240  1.00  0.00           H  
CONECT    1    2   16
CONECT    2    3    3   15
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   14
CONECT    6    7   13   19
CONECT    7    8   20   21
CONECT    8    9   12
CONECT    9   10   22   23
CONECT   10   11   24   25
CONECT   11   12
CONECT   12   13   13
CONECT   14   15   15   26
CONECT   15   27
END
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SMILES for HMDB0246439 (p-Hydroxylevamisole)

OC1=CC=C(C=C1)C1CN2CCSC2=N1
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INCHI for HMDB0246439 (p-Hydroxylevamisole)

InChI=1S/C11H12N2OS/c14-9-3-1-8(2-4-9)10-7-13-5-6-15-11(13)12-10/h1-4,10,14H,5-7H2
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SynonymsNot Available
Chemical FormulaC11H12N2OS
Average Molecular Weight220.29
Monoisotopic Molecular Weight220.067034188
IUPAC Name4-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenol
Traditional Name4-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenol
CAS Registry NumberNot Available
SMILES
OC1=CC=C(C=C1)C1CN2CCSC2=N1
InChI Identifier
InChI=1S/C11H12N2OS/c14-9-3-1-8(2-4-9)10-7-13-5-6-15-11(13)12-10/h1-4,10,14H,5-7H2
InChI KeyQBEDXUHDXKEDES-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub Class1-hydroxy-2-unsubstituted benzenoids
Direct Parent1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Azole
  • 2-imidazoline
  • Thiazolidine
  • Isothiourea
  • Azacycle
  • Organoheterocyclic compound
  • Carboximidamide
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organonitrogen compound
  • Amine
  • Organooxygen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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 ID8618877
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10443458
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 ]