Deoxynivalenol
6191
Reference
Deoxynivalenol Structure
Systematic / IUPAC Name: (3β,7α)-3,7,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one
ID: Reference6191
Other Names:
4-Deoxynivalenol;
4-Desoxynivalenol;
Dehydronivalenol;
Desoxynivalenol;
Rd Toxin
; more
Formula: C15H20O6
Class: Natural Toxins
Spectral Data
Deoxynivalenol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 4401 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 12/22/2016 1:59:31 PM |
Identificators
| InChI | 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 |
| Canonical SMILES | CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO |
| CAS | 51481108 |
| Splash | |
| Other Names |
4-Deoxynivalenol; 4-Desoxynivalenol; Dehydronivalenol; Desoxynivalenol; Rd Toxin; Vomitoxin; 12,13-Epoxy-3-α,7-α,15-trihydroxy-9-trichothecen-8-one; 3α,7α,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one; Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3-α,7-α)-; DON |