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3-ACETYLDEOXYNIVALENOL
FEATURES
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NAMES
  • 3-Acetyldeoxynivalenol
SMILES
CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO
InChI
InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
MOLECULAR FORMULA
C17H22O7
CROSS REFERENCES
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3-ACETYLDEOXYNIVALENOL

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 338.14
AlogP -0.27
HBond donors 2
HBond acceptors 7
Atoms 46
Contains toxicophore Yes
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3-ACETYLDEOXYNIVALENOL.