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Showing metabocard for N-Phenylphthalimide (HMDB0255231)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 14:48:36 UTC
Update Date2021-09-26 23:09:51 UTC
HMDB IDHMDB0255231
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-Phenylphthalimide
Description2-phenyl-2,3-dihydro-1H-isoindole-1,3-dione belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. 2-phenyl-2,3-dihydro-1H-isoindole-1,3-dione is an extremely weak basic (essentially neutral) compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). N-phenylphthalimide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-Phenylphthalimide 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 HMDB0255231 (N-Phenylphthalimide)

  Mrv1533004241523592D          

 17 19  0  0  0  0            999 V2000
   -1.8212   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
Download

3D MOL for HMDB0255231 (N-Phenylphthalimide)

HMDB0255231
     RDKit          3D
N-Phenylphthalimide
 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2302    2.3017   -0.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    1.0936    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    0.6799    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1278    1.4101    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3203    0.7424    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3677   -0.6242    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1938   -1.3479    0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890   -0.6763    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873   -1.1339    0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509   -2.3164    0.6258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -0.0538    0.2227 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.0456    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    1.0308   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181    1.0689   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518   -0.0066    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538   -1.0967    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4741   -1.1220    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925    2.4938   -0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2624    1.2578    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3417   -1.1087    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -2.4140    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    1.9123   -0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247    1.9372   -0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6382   -0.0167    0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -1.9545    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653   -2.0110    1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11  2  1  0
 17 12  1  0
  8  3  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
 13 22  1  0
 14 23  1  0
 15 24  1  0
 16 25  1  0
 17 26  1  0
M  END
Download

3D SDF for HMDB0255231 (N-Phenylphthalimide)

  Mrv1533004241523592D          

 17 19  0  0  0  0            999 V2000
   -1.8212   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0255231

> <DATABASE_NAME>
hmdb

> <SMILES>
O=C1N(C(=O)C2=CC=CC=C12)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H

> <INCHI_KEY>
MFUPLJQNEXUUDW-UHFFFAOYSA-N

> <FORMULA>
C14H9NO2

> <MOLECULAR_WEIGHT>
223.231

> <EXACT_MASS>
223.063328534

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
23.06360218633134

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-phenyl-2,3-dihydro-1H-isoindole-1,3-dione

> <ALOGPS_LOGP>
2.13

> <JCHEM_LOGP>
2.5750575526666664

> <ALOGPS_LOGS>
-2.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.140470358951128

> <JCHEM_POLAR_SURFACE_AREA>
37.38

> <JCHEM_REFRACTIVITY>
63.989100000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.50e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-phenylisoindole-1,3-dione

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0255231 (N-Phenylphthalimide)

HMDB0255231
     RDKit          3D
N-Phenylphthalimide
 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2302    2.3017   -0.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    1.0936    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    0.6799    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1278    1.4101    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3203    0.7424    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3677   -0.6242    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1938   -1.3479    0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890   -0.6763    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873   -1.1339    0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509   -2.3164    0.6258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -0.0538    0.2227 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.0456    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    1.0308   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181    1.0689   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518   -0.0066    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538   -1.0967    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4741   -1.1220    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925    2.4938   -0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2624    1.2578    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3417   -1.1087    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -2.4140    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    1.9123   -0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247    1.9372   -0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6382   -0.0167    0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -1.9545    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653   -2.0110    1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11  2  1  0
 17 12  1  0
  8  3  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
 13 22  1  0
 14 23  1  0
 15 24  1  0
 16 25  1  0
 17 26  1  0
M  END
Download

PDB for HMDB0255231 (N-Phenylphthalimide)

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -3.400  -1.303   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.630   0.031   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.090   0.031   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.320  -1.303   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.090  -2.637   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.630  -2.637   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       1.220  -1.303   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.126  -0.057   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.650   1.408   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.650  -4.013   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8   16                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15    7   17                                                  
CONECT   17   16                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   38    0
END
Download

3D PDB for HMDB0255231 (N-Phenylphthalimide)

COMPND    HMDB0255231
HETATM    1  O1  UNL     1      -0.230   2.302  -0.144  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.522   1.094   0.069  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.941   0.680   0.204  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.128   1.410   0.138  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.320   0.742   0.306  1.00  0.00           C  
HETATM    6  C5  UNL     1      -4.368  -0.624   0.538  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.194  -1.348   0.603  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.989  -0.676   0.433  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.587  -1.134   0.444  1.00  0.00           C  
HETATM   10  O2  UNL     1      -0.251  -2.316   0.626  1.00  0.00           O  
HETATM   11  N1  UNL     1       0.293  -0.054   0.223  1.00  0.00           N  
HETATM   12  C9  UNL     1       1.731  -0.046   0.160  1.00  0.00           C  
HETATM   13  C10 UNL     1       2.438   1.031  -0.334  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.818   1.069  -0.400  1.00  0.00           C  
HETATM   15  C12 UNL     1       4.552  -0.007   0.043  1.00  0.00           C  
HETATM   16  C13 UNL     1       3.854  -1.097   0.545  1.00  0.00           C  
HETATM   17  C14 UNL     1       2.474  -1.122   0.605  1.00  0.00           C  
HETATM   18  H1  UNL     1      -3.092   2.494  -0.049  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.262   1.258   0.265  1.00  0.00           H  
HETATM   20  H3  UNL     1      -5.342  -1.109   0.665  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.187  -2.414   0.783  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.884   1.912  -0.704  1.00  0.00           H  
HETATM   23  H6  UNL     1       4.325   1.937  -0.795  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.638  -0.017   0.012  1.00  0.00           H  
HETATM   25  H8  UNL     1       4.442  -1.955   0.899  1.00  0.00           H  
HETATM   26  H9  UNL     1       1.965  -2.011   1.013  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   11
CONECT    3    4    4    8
CONECT    4    5   18
CONECT    5    6    6   19
CONECT    6    7   20
CONECT    7    8    8   21
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12
CONECT   12   13   13   17
CONECT   13   14   22
CONECT   14   15   15   23
CONECT   15   16   24
CONECT   16   17   17   25
CONECT   17   26
END
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SMILES for HMDB0255231 (N-Phenylphthalimide)

O=C1N(C(=O)C2=CC=CC=C12)C1=CC=CC=C1
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INCHI for HMDB0255231 (N-Phenylphthalimide)

InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
N-PhenylphtalimideChEMBL
Chemical FormulaC14H9NO2
Average Molecular Weight223.231
Monoisotopic Molecular Weight223.063328534
IUPAC Name2-phenyl-2,3-dihydro-1H-isoindole-1,3-dione
Traditional Name2-phenylisoindole-1,3-dione
CAS Registry NumberNot Available
SMILES
O=C1N(C(=O)C2=CC=CC=C12)C1=CC=CC=C1
InChI Identifier
InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
InChI KeyMFUPLJQNEXUUDW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIsoindoles and derivatives
Sub ClassIsoindolines
Direct ParentPhthalimides
Alternative Parents
Substituents
  • Phthalimide
  • Isoindole
  • Monocyclic benzene moiety
  • Carboxylic acid imide, n-substituted
  • Benzenoid
  • Carboxylic acid imide
  • Azacycle
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • 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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound68215
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 ]