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CHEBI:169241 - 15-Acetyl-4-deoxynivalenol

ChEBI IDCHEBI:169241
ChEBI Name15-Acetyl-4-deoxynivalenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O7
Net Charge0
Average Mass338.356
Monoisotopic Mass338.13655
SMILESCC(=O)OCC12C(C=C(C)C(=O)C1O)OC1C(O)CC2(C)C12CO2
InChIInChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3
InChIKeyIDGRYIRJIFKTAN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
15-Acetyl-4-deoxynivalenol (CHEBI:169241) is a trichothecene (CHEBI:55517)
IUPAC Name 
(3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Manual XrefsDatabases
HMDB0033444HMDB
467346ChemSpider