NP-MRD: Showing NP-Card for (-)-zearalenone (NP0197052)

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Record Information

Version

2.0

Created at

2022-09-04 15:14:53 UTC

Updated at

2022-09-04 15:14:53 UTC

NP-MRD ID

NP0197052

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-zearalenone

Description

(-)-zearalenone is found in Apis cerana and Fusarium graminearum. (-)-zearalenone was first documented in 2017 (PMID: 28376398).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
   -0.7587   -2.6242    0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353   -1.8462    0.7026 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6340   -2.7942    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -2.2116    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0437   -0.7092    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479   -0.1146   -1.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090   -0.7598   -2.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5404    1.2314   -1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    2.1667   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    2.5178   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    1.9441    1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624    1.3311    1.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8184    0.9953    0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0546    1.4908    1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2407    1.2534    0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4357    1.7888    1.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2422    0.4924   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0578   -0.0104   -1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.7705   -2.2136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8456    0.2283   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6697   -0.4058   -0.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622   -0.4998   -2.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.8970   -0.2868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0811   -3.1903    0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030   -1.8730    1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5748   -3.2915    1.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766   -1.3682    1.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4151   -3.2358   -0.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929   -3.6528    0.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5654   -2.6088    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422   -2.5459   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390   -0.4472    0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2898   -0.2421    0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5808    1.0918   -2.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531    1.6991   -2.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715    3.0857   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7492    1.6944    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668    3.6553    0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2968    2.2133   -0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1856    2.0558    2.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588    1.0197    2.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1468    2.0927    2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7194    2.7068    0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1799    0.2992   -1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9595   -0.9550   -2.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 20  2  0
 20 18  1  0
 18 19  1  0
 18 17  2  0
 17 15  1  0
 15 16  1  0
 15 14  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
 14 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  1
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 12 41  1  0
 19 45  1  0
 17 44  1  0
 16 43  1  0
 14 42  1  0
M  END

  Mrv1652304051722322D          

 23 24  0  0  1  0            999 V2000
    6.3466    0.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1484   -0.5752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7429   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5355   -0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1300   -1.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9318   -2.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263   -2.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1392   -2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9411   -3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1484   -3.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5539   -2.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7613   -3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1668   -2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650   -1.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7705   -1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9687   -0.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9779   -1.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7797   -2.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871   -2.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3742   -2.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1576   -1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521   -2.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558   -0.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0197052

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CCCC(=O)CCC\C=C\C2=C(C(O)=CC(O)=C2)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1

> <INCHI_KEY>
MBMQEIFVQACCCH-QBODLPLBSA-N

> <FORMULA>
C18H22O5

> <MOLECULAR_WEIGHT>
318.369

> <EXACT_MASS>
318.146723808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
33.985187053185115

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S)-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
4.374165605666666

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.383901133857439

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.537724054652303

> <JCHEM_PKA_STRONGEST_BASIC>
-4.015715909368844

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
88.3395

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.17e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(-)-zearalenone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-APR-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-APR-17         0                                  
HETATM    1  C   UNK     0      11.847   0.421   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.477  -1.074   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.587  -2.142   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.066  -1.714   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.176  -2.782   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.806  -4.277   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      15.916  -5.345   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      13.327  -4.704   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.957  -6.199   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.477  -6.626   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.367  -5.558   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.888  -5.986   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.778  -4.918   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.148  -3.423   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.038  -2.355   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.408  -0.860   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.559  -2.782   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.189  -4.277   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.709  -4.704   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.298  -5.345   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.628  -2.996   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.737  -4.064   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       9.997  -1.501   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   13                                                       
CONECT   21   14   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    2                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
(-)-Zearalenone	ChEBI
(10S)-Zearalenone	ChEBI
(S)-(-)-Zearalenone	ChEBI
(S)-Zearalenone	ChEBI
(S-(e))-3,4,5,6,9,10-hexahydro-14,16-Dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione	ChEBI
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid lactone	ChEBI
trans-Zearalenone	ChEBI
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-b-resorcylate lactone	Generator
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-b-resorcylic acid lactone	Generator
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylate lactone	Generator
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-β-resorcylate lactone	Generator
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-β-resorcylic acid lactone	Generator
F 2 Toxin	MeSH
F2 Toxin	MeSH
F-2 Toxin	MeSH
Toxin, F2	MeSH
Toxin, F-2	MeSH

Chemical Formula

C₁₈H₂₂O₅

Average Mass

318.3690 Da

Monoisotopic Mass

318.14672 Da

IUPAC Name

(3S)-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione

Traditional Name

(-)-zearalenone

CAS Registry Number

Not Available

SMILES

C[C@H]1CCCC(=O)CCC\C=C\C2=C(C(O)=CC(O)=C2)C(=O)O1

InChI Identifier

InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1

InChI Key

MBMQEIFVQACCCH-QBODLPLBSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Apis cerana	LOTUS Database	35616633
Fusarium graminearum	LOTUS Database	35616633

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as zearalenones. These are macrolides which contains a fourteen-member lactone fused to 1,3-dihydroxybenzene.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Zearalenones

Direct Parent

Zearalenones

Alternative Parents

Substituents

Zearalenone-skeleton
Dihydroxybenzoic acid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Vinylogous acid
Carboxylic acid ester
Ketone
Lactone
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Organic oxide
Organooxygen compound
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

resorcinols (CHEBI:10106 )
macrolide (CHEBI:10106 )
Macrolides and lactone polyketides (C09981 )
Mycotoxins (C09981 )
Macrolides and lactone polyketides (LMPK04000016 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.04	ALOGPS
logP	4.37	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.54	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.83 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	88.34 m³·mol⁻¹	ChemAxon
Polarizability	33.99 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003025

Chemspider ID

Not Available

KEGG Compound ID

C09981

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Zearalenone

METLIN ID

Not Available

PubChem Compound

5281576

PDB ID

Not Available

ChEBI ID

10106

Good Scents ID

Not Available

References

General References

Taheur FB, Fedhila K, Chaieb K, Kouidhi B, Bakhrouf A, Abrunhosa L: Adsorption of aflatoxin B1, zearalenone and ochratoxin A by microorganisms isolated from Kefir grains. Int J Food Microbiol. 2017 Jun 19;251:1-7. doi: 10.1016/j.ijfoodmicro.2017.03.021. Epub 2017 Mar 28. [PubMed:28376398 ]
Miro-Abella E, Herrero P, Canela N, Arola L, Borrull F, Ras R, Fontanals N: Determination of mycotoxins in plant-based beverages using QuEChERS and liquid chromatography-tandem mass spectrometry. Food Chem. 2017 Aug 15;229:366-372. doi: 10.1016/j.foodchem.2017.02.078. Epub 2017 Feb 17. [PubMed:28372187 ]
Lega F, Angeletti R, Stella R, Rigoni L, Biancotto G, Giusepponi D, Moretti S, Saluti G, Galarini R: Abuse of anabolic agents in beef cattle: Could bile be a possible alternative matrix? Food Chem. 2017 Aug 15;229:188-197. doi: 10.1016/j.foodchem.2017.02.069. Epub 2017 Feb 15. [PubMed:28372163 ]
Cwalina-Ambroziak B, Kurowski TP, Waskiewicz A, Golinski P, Stepien A, Glosek-Sobieraj M, Perczak A: The effect of fertiliser treatments on the severity of Fusarium head blight and mycotoxin biosynthesis in winter rye. Arh Hig Rada Toksikol. 2017 Mar 1;68(1):16-26. doi: 10.1515/aiht-2017-68-2843. [PubMed:28365678 ]
Poor M, Kunsagi-Mate S, Balint M, Hetenyi C, Gerner Z, Lemli B: Interaction of mycotoxin zearalenone with human serum albumin. J Photochem Photobiol B. 2017 May;170:16-24. doi: 10.1016/j.jphotobiol.2017.03.016. Epub 2017 Mar 27. [PubMed:28365492 ]
LOTUS database [Link]

Showing NP-Card for (-)-zearalenone (NP0197052)

MOL for NP0197052 ((-)-zearalenone)

3D MOL for NP0197052 ((-)-zearalenone)

3D SDF for NP0197052 ((-)-zearalenone)

3D-SDF for NP0197052 ((-)-zearalenone)

PDB for NP0197052 ((-)-zearalenone)

3D PDB for NP0197052 ((-)-zearalenone)

SMILES for NP0197052 ((-)-zearalenone)

INCHI for NP0197052 ((-)-zearalenone)

Structure for NP0197052 ((-)-zearalenone)

3D Structure for NP0197052 ((-)-zearalenone)