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Showing metabocard for Flosequinan (HMDB0252316)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:11:42 UTC
Update Date2021-09-26 23:04:49 UTC
HMDB IDHMDB0252316
Secondary Accession NumbersNone
Metabolite Identification
Common NameFlosequinan
DescriptionFlosequinan belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Flosequinan is an extremely weak basic (essentially neutral) compound (based on its pKa). It had been approved in 1992 in the US and UK to treat people with heart failure who could not tolerate ACE inhibitors or digitalis. Boots withdrew it from the market in July 1993. The study was terminated early in 1993 due to increased mortality in the drug arm of the trial; preliminary results were published in a conference abstract by the PI Milton Packer and others, which promised data and analysis would be forthcoming in a future paper, which was finally published in 2017. Boots initiated a clinical trial called PROFILE to see if the drug could be useful in a wider population. Flosequinan is a quinolone vasodilator that was discovered and developed by Boots UK and was sold for about a year under the trade name Manoplax. This compound has been identified in human blood as reported by (PMID: 31557052 ). Flosequinan is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Flosequinan 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 HMDB0252316 (Flosequinan)

  Mrv1572004221606212D          

 16 17  0  0  0  0            999 V2000
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  7  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 16  2  1  0  0  0  0
 16 10  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
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3D MOL for HMDB0252316 (Flosequinan)

HMDB0252316
     RDKit          3D
Flosequinan
 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.3407   -2.5086   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033   -1.2926   -0.0717 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -1.3314    0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3251   -0.1800    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524   -0.1645    1.4560 S   0  0  0  0  0  4  0  0  0  0  0  0
    4.1834   -0.1485    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757    1.0546    2.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    1.0316    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.1201    0.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5563    1.0372   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180    2.2265   -0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    2.2481   -0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561    1.0797   -1.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4038    1.1245   -1.6787 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5175   -0.1139   -0.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424   -0.1209   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -2.5140    0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908   -2.6338   -1.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608   -3.3604    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1035   -2.2965    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0501    0.4822    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8004    0.1908   -0.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394   -1.2062    0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6747    3.1406   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950    3.1788   -1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0158   -1.0433   -1.1011 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
  4  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  2  1  0
 16 10  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  6 21  1  0
  6 22  1  0
  6 23  1  0
 11 24  1  0
 12 25  1  0
 15 26  1  0
M  END
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3D SDF for HMDB0252316 (Flosequinan)

  Mrv1572004221606212D          

 16 17  0  0  0  0            999 V2000
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  7  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 16  2  1  0  0  0  0
 16 10  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252316

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1C=C(C(=O)C2=C1C=C(F)C=C2)S(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3

> <INCHI_KEY>
UYGONJYYUKVHDD-UHFFFAOYSA-N

> <FORMULA>
C11H10FNO2S

> <MOLECULAR_WEIGHT>
239.26

> <EXACT_MASS>
239.041627903

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
22.88130453713848

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-fluoro-3-methanesulfinyl-1-methyl-1,4-dihydroquinolin-4-one

> <ALOGPS_LOGP>
1.13

> <JCHEM_LOGP>
0.7187198986666667

> <ALOGPS_LOGS>
-1.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3665969070493094

> <JCHEM_POLAR_SURFACE_AREA>
37.38

> <JCHEM_REFRACTIVITY>
63.818000000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.25e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
manoplax

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0252316 (Flosequinan)

HMDB0252316
     RDKit          3D
Flosequinan
 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.3407   -2.5086   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033   -1.2926   -0.0717 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -1.3314    0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3251   -0.1800    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524   -0.1645    1.4560 S   0  0  0  0  0  4  0  0  0  0  0  0
    4.1834   -0.1485    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757    1.0546    2.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    1.0316    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.1201    0.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5563    1.0372   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180    2.2265   -0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    2.2481   -0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561    1.0797   -1.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4038    1.1245   -1.6787 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5175   -0.1139   -0.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424   -0.1209   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -2.5140    0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908   -2.6338   -1.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608   -3.3604    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1035   -2.2965    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0501    0.4822    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8004    0.1908   -0.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394   -1.2062    0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6747    3.1406   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950    3.1788   -1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0158   -1.0433   -1.1011 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
  4  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  2  1  0
 16 10  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  6 21  1  0
  6 22  1  0
  6 23  1  0
 11 24  1  0
 12 25  1  0
 15 26  1  0
M  END
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PDB for HMDB0252316 (Flosequinan)

HEADER    PROTEIN                                 22-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-APR-16         0                                  
HETATM    1  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   12  F   UNK     0       0.000   1.540   0.000  0.00  0.00           F+0
HETATM   13  N   UNK     0       5.335   1.540   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   16  S   UNK     0       8.002   4.620   0.000  0.00  0.00           S+0
CONECT    1   13                                                            
CONECT    2   16                                                            
CONECT    3    4    7                                                       
CONECT    4    3    8                                                       
CONECT    5    7    9                                                       
CONECT    6   10   13                                                       
CONECT    7    3    5   12                                                  
CONECT    8    4    9   11                                                  
CONECT    9    5    8   13                                                  
CONECT   10    6   11   16                                                  
CONECT   11    8   10   14                                                  
CONECT   12    7                                                            
CONECT   13    1    6    9                                                  
CONECT   14   11                                                            
CONECT   15   16                                                            
CONECT   16    2   10   15                                                  
MASTER        0    0    0    0    0    0    0    0   16    0   34    0
END
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3D PDB for HMDB0252316 (Flosequinan)

COMPND    HMDB0252316
HETATM    1  C1  UNL     1      -1.341  -2.509  -0.396  1.00  0.00           C  
HETATM    2  N1  UNL     1      -0.603  -1.293  -0.072  1.00  0.00           N  
HETATM    3  C2  UNL     1       0.633  -1.331   0.457  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.325  -0.180   0.760  1.00  0.00           C  
HETATM    5  S1  UNL     1       2.952  -0.164   1.456  1.00  0.00           S  
HETATM    6  C4  UNL     1       4.183  -0.148   0.168  1.00  0.00           C  
HETATM    7  O1  UNL     1       3.176   1.055   2.345  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.719   1.032   0.510  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.294   2.120   0.764  1.00  0.00           O  
HETATM   10  C6  UNL     1      -0.556   1.037  -0.035  1.00  0.00           C  
HETATM   11  C7  UNL     1      -1.218   2.226  -0.309  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.486   2.248  -0.851  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.156   1.080  -1.146  1.00  0.00           C  
HETATM   14  F1  UNL     1      -4.404   1.124  -1.679  1.00  0.00           F  
HETATM   15  C10 UNL     1      -2.517  -0.114  -0.881  1.00  0.00           C  
HETATM   16  C11 UNL     1      -1.242  -0.121  -0.336  1.00  0.00           C  
HETATM   17  H1  UNL     1      -2.316  -2.514   0.127  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.491  -2.634  -1.482  1.00  0.00           H  
HETATM   19  H3  UNL     1      -0.761  -3.360   0.050  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.103  -2.297   0.651  1.00  0.00           H  
HETATM   21  H5  UNL     1       5.050   0.482   0.428  1.00  0.00           H  
HETATM   22  H6  UNL     1       3.800   0.191  -0.811  1.00  0.00           H  
HETATM   23  H7  UNL     1       4.539  -1.206   0.025  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.675   3.141  -0.071  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.995   3.179  -1.062  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.016  -1.043  -1.101  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   16
CONECT    3    4    4   20
CONECT    4    5    8
CONECT    5    6    7    7
CONECT    6   21   22   23
CONECT    8    9    9   10
CONECT   10   11   11   16
CONECT   11   12   24
CONECT   12   13   13   25
CONECT   13   14   15
CONECT   15   16   16   26
END
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SMILES for HMDB0252316 (Flosequinan)

CN1C=C(C(=O)C2=C1C=C(F)C=C2)S(C)=O
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INCHI for HMDB0252316 (Flosequinan)

InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
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Synonyms
ValueSource
7-Fluoro-1-methyl-3-methylsulfinyl-4-quinolineMeSH
FlosequinanMeSH
7-Fluoro-3-methanesulphinyl-1-methyl-1,4-dihydroquinolin-4-oneGenerator
Chemical FormulaC11H10FNO2S
Average Molecular Weight239.26
Monoisotopic Molecular Weight239.041627903
IUPAC Name7-fluoro-3-methanesulfinyl-1-methyl-1,4-dihydroquinolin-4-one
Traditional Namemanoplax
CAS Registry NumberNot Available
SMILES
CN1C=C(C(=O)C2=C1C=C(F)C=C2)S(C)=O
InChI Identifier
InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChI KeyUYGONJYYUKVHDD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassQuinolones and derivatives
Direct ParentHydroquinolones
Alternative Parents
Substituents
  • Haloquinoline
  • Dihydroquinolone
  • Dihydroquinoline
  • Aryl fluoride
  • Aryl halide
  • Pyridine
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous amide
  • Sulfoxide
  • Sulfinyl compound
  • Azacycle
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organofluoride
  • Organohalogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen 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 IDDB13228
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 LinkFlosequinan
METLIN IDNot Available
PubChem Compound4474062
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 ]