deoxynivalenol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 540
Total Number of Articles : 395
PubChem 40024
Molecular Formula

C15H20O6

SMILES

CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO

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

synonyms
  • DEOXYNIVALENOL
  • 51481-10-8
  • Vomitoxin
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Properties
Property Value
MW 296.31 g/mol
HBD 3
HBA 6
Rotatable Bond Count 1
Exact Mass 296.12598835 g/mol
Monoisotopic Mass 296.12598835 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 558
xlogp -0.7
Topological Polar Surface Area 99.5