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Showing metabocard for Visnagin (HMDB0259840)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 22:46:42 UTC
Update Date2021-09-26 23:17:39 UTC
HMDB IDHMDB0259840
Secondary Accession NumbersNone
Metabolite Identification
Common NameVisnagin
Descriptionvisnagin, also known as desmethoxykhellin or FUK-724, belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system. Thus, visnagin is considered to be an aromatic polyketide. visnagin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on visnagin. This compound has been identified in human blood as reported by (PMID: 31557052 ). Visnagin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Visnagin 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 HMDB0259840 (Visnagin)

  Mrv1533004171523312D          

 17 19  0  0  0  0            999 V2000
    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 O   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
    4.0668   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -2.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    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  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  3 17  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
Download

3D MOL for HMDB0259840 (Visnagin)

HMDB0259840
     RDKit          3D
Visnagin
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2163   -2.4893   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -1.5814    0.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0867   -0.3668    0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8646    0.7675    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003    1.0094    0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115    2.3414    0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3016    2.8992    0.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335    2.0068    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    2.0545   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.9398   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1329    1.0542   -0.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    0.0260   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    0.1838   -0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -1.2089   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937   -1.3735    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742   -2.4701    0.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553   -0.2594    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008   -3.5075    0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860   -2.5436   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2670   -2.1885   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9242    0.2788    0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529    2.9022    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562    2.9904   -0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    0.4675    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759   -0.8201   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    0.9441   -1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -2.0566   -0.0575 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  2  0
  6  7  1  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
 12 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  3  1  0
  8  4  1  0
 17 10  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  5 21  1  0
  6 22  1  0
  9 23  1  0
 13 24  1  0
 13 25  1  0
 13 26  1  0
 14 27  1  0
M  END
Download

3D SDF for HMDB0259840 (Visnagin)

  Mrv1533004171523312D          

 17 19  0  0  0  0            999 V2000
    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 O   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
    4.0668   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -2.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    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  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  3 17  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259840

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C2C=COC2=CC2=C1C(=O)C=C(C)O2

> <INCHI_IDENTIFIER>
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3

> <INCHI_KEY>
NZVQLVGOZRELTG-UHFFFAOYSA-N

> <FORMULA>
C13H10O4

> <MOLECULAR_WEIGHT>
230.219

> <EXACT_MASS>
230.057908802

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
23.118621902295093

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one

> <ALOGPS_LOGP>
2.32

> <JCHEM_LOGP>
1.8730054043333328

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.778840578179562

> <JCHEM_PKA_STRONGEST_BASIC>
-2.817212502984345

> <JCHEM_POLAR_SURFACE_AREA>
48.67

> <JCHEM_REFRACTIVITY>
62.4115

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.94e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
visnagin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0259840 (Visnagin)

HMDB0259840
     RDKit          3D
Visnagin
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2163   -2.4893   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -1.5814    0.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0867   -0.3668    0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8646    0.7675    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003    1.0094    0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115    2.3414    0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3016    2.8992    0.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335    2.0068    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    2.0545   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.9398   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1329    1.0542   -0.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    0.0260   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    0.1838   -0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -1.2089   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937   -1.3735    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742   -2.4701    0.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553   -0.2594    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008   -3.5075    0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860   -2.5436   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2670   -2.1885   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9242    0.2788    0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529    2.9022    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562    2.9904   -0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    0.4675    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759   -0.8201   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    0.9441   -1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -2.0566   -0.0575 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  2  0
  6  7  1  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
 12 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  3  1  0
  8  4  1  0
 17 10  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  5 21  1  0
  6 22  1  0
  9 23  1  0
 13 24  1  0
 13 25  1  0
 13 26  1  0
 14 27  1  0
M  END
Download

PDB for HMDB0259840 (Visnagin)

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.258  -0.533   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.591  -2.843   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.925  -2.073   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.925  -0.533   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      10.259  -2.843   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.259  -4.383   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.592  -5.153   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.925  -5.153   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.591  -4.383   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.258  -5.153   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.924  -4.383   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.459  -4.859   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.554  -3.613   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.459  -2.367   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   17                                                  
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    4   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16    3   13                                                  
MASTER        0    0    0    0    0    0    0    0   17    0   38    0
END
Download

3D PDB for HMDB0259840 (Visnagin)

COMPND    HMDB0259840
HETATM    1  C1  UNL     1      -2.216  -2.489  -0.056  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.656  -1.581   0.843  1.00  0.00           O  
HETATM    3  C2  UNL     1      -1.087  -0.367   0.502  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.865   0.768   0.457  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.200   1.009   0.692  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.412   2.341   0.492  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.302   2.899   0.158  1.00  0.00           O  
HETATM    8  C6  UNL     1      -1.333   2.007   0.119  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.013   2.055  -0.171  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.845   0.940  -0.141  1.00  0.00           C  
HETATM   11  O3  UNL     1       2.133   1.054  -0.431  1.00  0.00           O  
HETATM   12  C9  UNL     1       2.942   0.026  -0.411  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.404   0.184  -0.746  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.427  -1.209  -0.078  1.00  0.00           C  
HETATM   15  C12 UNL     1       1.094  -1.374   0.231  1.00  0.00           C  
HETATM   16  O4  UNL     1       0.574  -2.470   0.540  1.00  0.00           O  
HETATM   17  C13 UNL     1       0.255  -0.259   0.202  1.00  0.00           C  
HETATM   18  H1  UNL     1      -2.201  -3.508   0.413  1.00  0.00           H  
HETATM   19  H2  UNL     1      -1.686  -2.544  -1.025  1.00  0.00           H  
HETATM   20  H3  UNL     1      -3.267  -2.188  -0.306  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.924   0.279   0.976  1.00  0.00           H  
HETATM   22  H5  UNL     1      -4.353   2.902   0.586  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.456   2.990  -0.434  1.00  0.00           H  
HETATM   24  H7  UNL     1       4.955   0.468   0.185  1.00  0.00           H  
HETATM   25  H8  UNL     1       4.776  -0.820  -1.023  1.00  0.00           H  
HETATM   26  H9  UNL     1       4.557   0.944  -1.517  1.00  0.00           H  
HETATM   27  H10 UNL     1       3.071  -2.057  -0.058  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5    8
CONECT    5    6    6   21
CONECT    6    7   22
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   23
CONECT   10   11   17   17
CONECT   11   12
CONECT   12   13   14   14
CONECT   13   24   25   26
CONECT   14   15   27
CONECT   15   16   16   17
END
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SMILES for HMDB0259840 (Visnagin)

COC1=C2C=COC2=CC2=C1C(=O)C=C(C)O2
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INCHI for HMDB0259840 (Visnagin)

InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
5-Methoxy-2-methylfuranochromoneChEBI
DesmethoxykhellinChEBI
FUK-724ChEBI
VisnagidinChEBI
VisnagineChEBI
Chemical FormulaC13H10O4
Average Molecular Weight230.219
Monoisotopic Molecular Weight230.057908802
IUPAC Name4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one
Traditional Namevisnagin
CAS Registry NumberNot Available
SMILES
COC1=C2C=COC2=CC2=C1C(=O)C=C(C)O2
InChI Identifier
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
InChI KeyNZVQLVGOZRELTG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct ParentFuranochromones
Alternative Parents
Substituents
  • Furanochromone
  • Benzofuran
  • Anisole
  • Alkyl aryl ether
  • Pyranone
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Vinylogous ester
  • Furan
  • Ether
  • Oxacycle
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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
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 IDC00002447
Chemspider ID6460
KEGG Compound IDC09049
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkVisnagin
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID10002
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1296971
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 ]