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CHEBI:223048 - Acetyltrichothecolone

ChEBI IDCHEBI:223048
ChEBI NameAcetyltrichothecolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESCC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C17H22O5/c1-9-5-12-15(3,7-11(9)19)16(4)13(21-10(2)18)6-14(22-12)17(16)8-20-17/h5,12-14H,6-8H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1
InChIKeyUGISZOXYFHGCSR-IKIFYQGPSA-N
Species of MetaboliteComponentSourceComments
Trichothecium (ncbitaxon:231006) - DOI (10.1039/jr9590001105)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Acetyltrichothecolone (CHEBI:223048) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Manual XrefsDatabases
20147984ChemSpider