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CHEBI:175302 - Acetyldeoxynivalenol

ChEBI IDCHEBI:175302
ChEBI NameAcetyldeoxynivalenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O7
Net Charge0
Average Mass338.356
Monoisotopic Mass338.13655
SMILESCC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)C(=O)C(O)C12CO
InChIInChI=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
InChIKeyADFIQZBYNGPCGY-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Acetyldeoxynivalenol (CHEBI:175302) is a trichothecene (CHEBI:55517)
IUPAC Name 
[3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Manual XrefsDatabases
HMDB0036137HMDB
94569ChemSpider