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CHEBI:221089 - 4-((Z)-but-2-enoyloxy)-12,13-epoxytrichotheca-7,9-diene

ChEBI IDCHEBI:221089
ChEBI Name4-((Z)-but-2-enoyloxy)-12,13-epoxytrichotheca-7,9-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O4
Net Charge0
Average Mass316.397
Monoisotopic Mass316.16746
SMILESC/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C=C[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C19H24O4/c1-5-6-16(20)23-14-10-15-19(11-21-19)18(14,4)17(3)8-7-12(2)9-13(17)22-15/h5-9,13-15H,10-11H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1
InChIKeyLRZPVTZOUNOLKP-HULHSAFCSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - DOI (10.1016/j.phytol.2016.08.017)
ChEBI Ontology
Outgoing Relation(s)
4-((Z)-but-2-enoyloxy)-12,13-epoxytrichotheca-7,9-diene (CHEBI:221089) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodeca-3,5-diene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
Manual XrefsDatabases
78442052ChemSpider