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CHEBI:198076 - 8-n-Pentanoylneosolaniol

ChEBI IDCHEBI:198076
ChEBI Name8-n-Pentanoylneosolaniol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O9
Net Charge0
Average Mass466.527
Monoisotopic Mass466.22028
SMILESCCCCC(=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/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22-,23+,24-/m0/s1
InChIKeyQXHICULSTMOREA-QFSIENHESA-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-Pentanoylneosolaniol (CHEBI:198076) 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] pentanoate
Manual XrefsDatabases
78439992ChemSpider