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CHEBI:227052 - 4-((Z)-but-2-enoyloxy)-12,13-epoxy-16-hydroxytrichothec-9-ene

ChEBI IDCHEBI:227052
ChEBI Name4-((Z)-but-2-enoyloxy)-12,13-epoxy-16-hydroxytrichothec-9-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O5
Net Charge0
Average Mass334.412
Monoisotopic Mass334.17802
SMILESC/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(CO)CC[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C19H26O5/c1-4-5-16(21)24-14-9-15-19(11-22-19)18(14,3)17(2)7-6-12(10-20)8-13(17)23-15/h4-5,8,13-15,20H,6-7,9-11H2,1-3H3/b5-4-/t13-,14-,15-,17+,18-,19+/m1/s1
InChIKeyZJTUORWHCGIUBM-BCEZYEFCSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - DOI (10.1016/j.phytol.2016.08.017)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
4-((Z)-but-2-enoyloxy)-12,13-epoxy-16-hydroxytrichothec-9-ene (CHEBI:227052) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-5-(hydroxymethyl)-1,2-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
Manual XrefsDatabases
78442102ChemSpider