NP-MRD: Showing NP-Card for deoxynivalenol (NP0261134)

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Record Information

Version

2.0

Created at

2022-09-08 03:30:01 UTC

Updated at

2022-09-08 03:30:01 UTC

NP-MRD ID

NP0261134

Secondary Accession Numbers

None

Natural Product Identification

Common Name

deoxynivalenol

Description

Deoxynivalenol, also known as DON or vomitoxin, belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. deoxynivalenol is found in Fusarium culmorum and Fusarium graminearum. deoxynivalenol was first documented in 2022 (PMID: 36079840). Based on a literature review a significant number of articles have been published on deoxynivalenol (PMID: 36075166) (PMID: 36101347) (PMID: 36087620) (PMID: 36084588) (PMID: 36084140) (PMID: 36065198).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
    4.0370   -1.6168   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857   -0.9490   -0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483   -1.5012   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769   -0.9467   -0.8341 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5717   -1.9367   -0.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178   -1.5558   -0.0131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5425   -0.6812   -0.9979 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2213   -0.8945   -2.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3868    0.7488   -0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2343    0.6355    0.4138 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2561    1.8082    1.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6561   -0.6022    1.1809 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3862   -0.9622    2.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6928   -0.4788    2.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002    0.3989   -0.2491 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2382    1.4493   -1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148    1.3674   -1.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    0.7718    0.7777 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1729    2.1782    0.8799 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147    0.3699    0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135    1.1345    0.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0984   -2.4354   -0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0915   -2.0691    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507   -0.8865   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -2.4916   -1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -0.8764   -1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3835   -2.4209    0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6380   -0.9357   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1049   -1.8415   -2.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2664    1.0533    0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777    1.4824   -1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779    2.7723    0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6487    1.6974    2.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.8668    1.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8605   -0.3234    3.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -2.0307    2.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952    2.4709   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820    1.2295   -2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139    2.0491   -2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390    0.3784    1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9237    2.5736    0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  0
 10 15  1  0
 15 16  1  6
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20  2  1  0
 15  4  1  0
 12  6  1  0
 12 14  1  1
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  4 26  1  6
  6 27  1  1
  7 28  1  6
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
 11 33  1  0
 11 34  1  0
 13 35  1  0
 13 36  1  0
 16 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  1
 19 41  1  0
M  END


  Mrv1652309082205302D          

 21 24  0  0  1  0            999 V2000
    5.6625    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529    1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4805    1.3356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9286    1.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    1.8996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6300    1.2251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8162    1.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612    0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245    0.1202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6736   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423    0.9450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5721    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3409    1.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3451    0.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2710   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9455   -0.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9823   -0.0023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3511   -0.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7547    0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919   -0.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  1  0  0  0
 10 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0261134

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1

> <INCHI_KEY>
LINOMUASTDIRTM-QGRHZQQGSA-N

> <FORMULA>
C15H20O6

> <MOLECULAR_WEIGHT>
296.319

> <EXACT_MASS>
296.125988364

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
29.24300603999693

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one

> <JCHEM_LOGP>
-0.9686968903333336

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.057467154231482

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.679137950165813

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8416551078886947

> <JCHEM_POLAR_SURFACE_AREA>
99.52000000000001

> <JCHEM_REFRACTIVITY>
71.6206

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      10.570   2.596   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.128   2.056   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.939   3.034   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.497   2.493   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.467   3.638   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.929   3.546   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.043   2.287   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.524   2.540   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.474   0.809   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.899   0.224   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.991  -1.313   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.999   1.764   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.935   0.651   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.503   2.129   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.244   0.974   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.106  -0.560   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.365  -1.447   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.434  -0.004   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.122  -1.382   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       8.875   0.536   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.065  -0.442   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   12                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12   15                                             
CONECT   11   10                                                            
CONECT   12   10    6   13   14                                             
CONECT   13   12   14                                                       
CONECT   14   13   12                                                       
CONECT   15   10    4   16   18                                             
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18    2   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Value	Source
3alpha,7alpha,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one	ChEBI
4-Deoxynivalenol	ChEBI
4-Desoxynivalenol	ChEBI
Dehydronivalenol	ChEBI
Desoxynivalenol	ChEBI
DON	ChEBI
Vomitoxin	ChEBI
3a,7a,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one	Generator
3Α,7α,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one	Generator
3-Epi-deoxynivalenol	MeSH
3-Epi-DON	MeSH

Chemical Formula

C₁₅H₂₀O₆

Average Mass

296.3190 Da

Monoisotopic Mass

296.12599 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O

InChI Identifier

InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1

InChI Key

LINOMUASTDIRTM-QGRHZQQGSA-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
Fusarium culmorum	LOTUS Database	35616633
Fusarium graminearum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Trichothecenes

Alternative Parents

Substituents

Trichothecene skeleton
Cyclohexenone
Oxepane
Oxane
Cyclic alcohol
Ketone
Secondary alcohol
Cyclic ketone
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Organic oxide
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Primary alcohol
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003201

Chemspider ID

36584

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Vomitoxin

METLIN ID

Not Available

PubChem Compound

40024

PDB ID

Not Available

ChEBI ID

10022

Good Scents ID

rw1680861

References

General References

Claeys L, De Saeger S, Scelo G, Biessy C, Casagrande C, Nicolas G, Korenjak M, Fervers B, Heath AK, Krogh V, Lujan-Barroso L, Castilla J, Ljungberg B, Rodriguez-Barranco M, Ericson U, Santiuste C, Catalano A, Overvad K, Brustad M, Gunter MJ, Zavadil J, De Boevre M, Huybrechts I: Mycotoxin Exposure and Renal Cell Carcinoma Risk: An Association Study in the EPIC European Cohort. Nutrients. 2022 Aug 30;14(17). pii: nu14173581. doi: 10.3390/nu14173581. [PubMed:36079840 ]
Keskin E, Eyupoglu OE: Determination of mycotoxins by HPLC, LC-MS/MS and health risk assessment of the mycotoxins in bee products of Turkey. Food Chem. 2023 Jan 30;400:134086. doi: 10.1016/j.foodchem.2022.134086. Epub 2022 Sep 5. [PubMed:36075166 ]
Bartkiene E, Starkute V, Zokaityte E, Klupsaite D, Mockus E, Bartkevics V, Borisova A, Gruzauskas R, Liatukas Z, Ruzgas V: Comparison Study of Nontreated and Fermented Wheat Varieties 'Ada', 'Sarta', and New Breed Blue and Purple Wheat Lines Wholemeal Flour. Biology (Basel). 2022 Jun 27;11(7):966. doi: 10.3390/biology11070966. [PubMed:36101347 ]
Cimbalo A, Frangiamone M, Font G, Manyes L: The importance of transcriptomics and proteomics for studying molecular mechanisms of mycotoxin exposure: A review. Food Chem Toxicol. 2022 Nov;169:113396. doi: 10.1016/j.fct.2022.113396. Epub 2022 Sep 7. [PubMed:36087620 ]
Jiang H, Zhong S, Schwarz P, Chen B, Rao J: Antifungal activity, mycotoxin inhibitory efficacy, and mode of action of hop essential oil nanoemulsion against Fusarium graminearum. Food Chem. 2023 Jan 30;400:134016. doi: 10.1016/j.foodchem.2022.134016. Epub 2022 Aug 27. [PubMed:36084588 ]
Tian F, Woo SY, Lee SY, Park SB, Im JH, Chun HS: Mycotoxins in soybean-based foods fermented with filamentous fungi: Occurrence and preventive strategies. Compr Rev Food Sci Food Saf. 2022 Nov;21(6):5131-5152. doi: 10.1111/1541-4337.13032. Epub 2022 Sep 9. [PubMed:36084140 ]
Zhang S, Liu S, Shen L, Chen S, He L, Liu A: Application of near-infrared spectroscopy for the nondestructive analysis of wheat flour: A review. Curr Res Food Sci. 2022 Aug 23;5:1305-1312. doi: 10.1016/j.crfs.2022.08.006. eCollection 2022. [PubMed:36065198 ]
LOTUS database [Link]

Showing NP-Card for deoxynivalenol (NP0261134)

MOL for NP0261134 (deoxynivalenol)

3D MOL for NP0261134 (deoxynivalenol)

3D SDF for NP0261134 (deoxynivalenol)

3D-SDF for NP0261134 (deoxynivalenol)

PDB for NP0261134 (deoxynivalenol)

3D PDB for NP0261134 (deoxynivalenol)

SMILES for NP0261134 (deoxynivalenol)

INCHI for NP0261134 (deoxynivalenol)

Structure for NP0261134 (deoxynivalenol)

3D Structure for NP0261134 (deoxynivalenol)