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CHEBI:213441 - Alterchothecene A

ChEBI IDCHEBI:213441
ChEBI NameAlterchothecene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O6
Net Charge0
Average Mass350.411
Monoisotopic Mass350.17294
SMILESC/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@]2(O)CO
InChIInChI=1S/C19H26O6/c1-5-6-16(22)25-14-8-15-19(23,10-20)18(14,4)17(3)9-12(21)11(2)7-13(17)24-15/h5-7,13-15,20,23H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1
InChIKeyVOYRUNIVSXHINC-HULHSAFCSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (32018306)
ChEBI Ontology
Outgoing Relation(s)
Alterchothecene A (CHEBI:213441) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-12-hydroxy-12-(hydroxymethyl)-1,2,5-trimethyl-4-oxo-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (Z)-but-2-enoate