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CHEBI:219794 - 8-n-Hexanoylneosolaniol

ChEBI IDCHEBI:219794
ChEBI Name8-n-Hexanoylneosolaniol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O9
Net Charge0
Average Mass480.554
Monoisotopic Mass480.23593
SMILESCCCCCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2
InChIInChI=1S/C25H36O9/c1-6-7-8-9-19(28)33-17-11-24(12-30-15(3)26)18(10-14(17)2)34-22-20(29)21(32-16(4)27)23(24,5)25(22)13-31-25/h10,17-18,20-22,29H,6-9,11-13H2,1-5H3/t17-,18+,20+,21+,22+,23-,24+,25-/m0/s1
InChIKeyNTQOBLPQKXJXCZ-QQQKDOCGSA-N
Species of MetaboliteComponentSourceComments
Fusariumspeciesrotrichioides (ncbitaxon:5514) - DOI (10.1021/np50077a011)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
8-n-Hexanoylneosolaniol (CHEBI:219794) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] hexanoate
Manual XrefsDatabases
78440278ChemSpider