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Showing NP-Card for 3,6-Hexahydroxydiphenoylglucose (NP0049912)

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Record Information
Version1.0
Created at2022-03-17 21:20:06 UTC
Updated at2022-03-17 21:20:06 UTC
NP-MRD IDNP0049912
Secondary Accession NumbersNone
Natural Product Identification
Common Name3,6-Hexahydroxydiphenoylglucose
Description6,7,8,11,12,13,21,22,23-Nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]Tricosa-4,6,8,10,12,14-hexaene-3,16-dione belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. 6,7,8,11,12,13,21,22,23-Nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]Tricosa-4,6,8,10,12,14-hexaene-3,16-dione is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]Tricosa-4,6,8,10,12,14-hexaene-3,16-dione has been detected, but not quantified in, pomegranates. This could make 6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]Tricosa-4,6,8,10,12,14-hexaene-3,16-dione a potential biomarker for the consumption of these foods.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0049912 (3,6-Hexahydroxydiphenoylglucose)


  Mrv1652309171723422D          

 34 37  0  0  0  0            999 V2000
    6.3685   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932   -2.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482   -1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782   -3.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583   -2.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4486   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9086   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284   -2.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3178   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081   -2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7187    0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381   -3.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2588   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583   -4.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6385   -3.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479   -1.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684   -3.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    0.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 15 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 18  2  0  0  0  0
 30 19  2  0  0  0  0
 31 20  1  0  0  0  0
 32  3  1  0  0  0  0
 32 18  1  0  0  0  0
 33  8  1  0  0  0  0
 33 20  1  0  0  0  0
 34 17  1  0  0  0  0
 34 19  1  0  0  0  0
M  END
Download

3D MOL for NP0049912 (3,6-Hexahydroxydiphenoylglucose)

Download
3D SDF for NP0049912 (3,6-Hexahydroxydiphenoylglucose)

  Mrv1652309171723422D          

 34 37  0  0  0  0            999 V2000
    6.3685   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932   -2.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482   -1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782   -3.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583   -2.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4486   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9086   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284   -2.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3178   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081   -2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7187    0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381   -3.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2588   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583   -4.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6385   -3.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479   -1.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684   -3.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    0.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 15 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 18  2  0  0  0  0
 30 19  2  0  0  0  0
 31 20  1  0  0  0  0
 32  3  1  0  0  0  0
 32 18  1  0  0  0  0
 33  8  1  0  0  0  0
 33 20  1  0  0  0  0
 34 17  1  0  0  0  0
 34 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049912

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC(C1O)C2O

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O14/c21-6-1-4-9(14(26)11(6)23)10-5(2-7(22)12(24)15(10)27)19(30)34-17-13(25)8(3-32-18(4)29)33-20(31)16(17)28/h1-2,8,13,16-17,20-28,31H,3H2

> <INCHI_KEY>
ZPGCONCPIPNNOE-UHFFFAOYSA-N

> <FORMULA>
C20H18O14

> <MOLECULAR_WEIGHT>
482.3485

> <EXACT_MASS>
482.069655284

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
41.30262784409922

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaene-3,16-dione

> <ALOGPS_LOGP>
0.46

> <JCHEM_LOGP>
-0.48935190466666656

> <ALOGPS_LOGS>
-1.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.148099263193478

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.5050381522435865

> <JCHEM_PKA_STRONGEST_BASIC>
-3.959277382658134

> <JCHEM_POLAR_SURFACE_AREA>
243.89999999999995

> <JCHEM_REFRACTIVITY>
106.53099999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaene-3,16-dione

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0049912 (3,6-Hexahydroxydiphenoylglucose)
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PDB for NP0049912 (3,6-Hexahydroxydiphenoylglucose)
HEADER    PROTEIN                                 17-SEP-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-SEP-17         0                                  
HETATM    1  C   UNK     0      11.888  -0.085   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.267  -4.456   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.351   0.788   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.880  -1.249   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.863  -3.577   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.400  -0.376   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.359  -6.197   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.343  -0.376   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.384  -2.704   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.376  -3.868   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.904  -1.831   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.871  -6.488   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.847  -1.831   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.896  -2.995   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.880  -5.323   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.327  -2.704   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.839  -2.995   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.367  -0.958   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.855  -4.741   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.822  -1.249   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      14.408   0.788   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       7.351  -7.361   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      15.416  -2.122   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      10.376  -7.943   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.359  -2.122   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      13.400  -4.450   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      12.392  -5.614   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       3.318  -3.868   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.236  -2.492   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       7.408  -6.215   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.310  -0.958   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.863   0.497   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.831  -0.085   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       6.343  -4.450   0.000  0.00  0.00           O+0
CONECT    1    4    6                                                       
CONECT    2    5    7                                                       
CONECT    3    8   32                                                       
CONECT    4    1    9   18                                                  
CONECT    5    2   10   19                                                  
CONECT    6    1   11   21                                                  
CONECT    7    2   12   22                                                  
CONECT    8    3   13   33                                                  
CONECT    9    4   10   14                                                  
CONECT   10    5    9   15                                                  
CONECT   11    6   14   23                                                  
CONECT   12    7   15   24                                                  
CONECT   13    8   17   25                                                  
CONECT   14    9   11   26                                                  
CONECT   15   10   12   27                                                  
CONECT   16   17   20   28                                                  
CONECT   17   13   16   34                                                  
CONECT   18    4   29   32                                                  
CONECT   19    5   30   34                                                  
CONECT   20   16   31   33                                                  
CONECT   21    6                                                            
CONECT   22    7                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32    3   18                                                       
CONECT   33    8   20                                                       
CONECT   34   17   19                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

Download
3D PDB for NP0049912 (3,6-Hexahydroxydiphenoylglucose)
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SMILES for NP0049912 (3,6-Hexahydroxydiphenoylglucose)
OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC(C1O)C2O
Download
INCHI for NP0049912 (3,6-Hexahydroxydiphenoylglucose)
InChI=1S/C20H18O14/c21-6-1-4-9(14(26)11(6)23)10-5(2-7(22)12(24)15(10)27)19(30)34-17-13(25)8(3-32-18(4)29)33-20(31)16(17)28/h1-2,8,13,16-17,20-28,31H,3H2
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View in JSmol
SynonymsNot Available
Chemical FormulaC20H18O14
Average Mass482.3485 Da
Monoisotopic Mass482.06966 Da
IUPAC Name6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaene-3,16-dione
Traditional Name6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaene-3,16-dione
CAS Registry Number617-45-8
SMILES
OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC(C1O)C2O
InChI Identifier
InChI=1S/C20H18O14/c21-6-1-4-9(14(26)11(6)23)10-5(2-7(22)12(24)15(10)27)19(30)34-17-13(25)8(3-32-18(4)29)33-20(31)16(17)28/h1-2,8,13,16-17,20-28,31H,3H2
InChI KeyZPGCONCPIPNNOE-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Punica granatumFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassTannins  
Sub ClassHydrolyzable tannins  
Direct ParentHydrolyzable tannins  
Alternative Parents
Substituents
  • Hydrolyzable tannin
    • 

  • Macrolide
    • 

  • Gallic acid or derivatives
    • 

  • 1-hydroxy-4-unsubstituted benzenoid
    • 

  • 1-hydroxy-2-unsubstituted benzenoid
    • 

  • Dicarboxylic acid or derivatives
    • 

  • Benzenoid
    • 

  • Oxane
    • 

  • Monosaccharide
    • 

  • Carboxylic acid ester
    • 

  • Hemiacetal
    • 

  • Secondary alcohol
    • 

  • Lactone
    • 

  • Carboxylic acid derivative
    • 

  • Oxacycle
    • 

  • Organoheterocyclic compound
    • 

  • Polyol
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Alcohol
    • 

  • Organic oxygen compound
    • 

  • Organooxygen compound
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.46ALOGPS
logP-0.49ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)7.51ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area243.9 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity106.53 m³·mol⁻¹ChemAxon
Polarizability41.3 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0133388  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB021699  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14284670  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available