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CHEBI:220518 - NX-3

ChEBI IDCHEBI:220518
ChEBI NameNX-3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESCC1=C[C@H]2OC3[C@H](O)C[C@@](C)(C34CO4)[C@@]2(CO)[C@H](O)C1
InChIInChI=1S/C15H22O5/c1-8-3-10(18)14(6-16)11(4-8)20-12-9(17)5-13(14,2)15(12)7-19-15/h4,9-12,16-18H,3,5-7H2,1-2H3/t9-,10-,11-,12?,13-,14+,15?/m1/s1
InChIKeyXFRWCERLVNRDRG-JILFELKFSA-N
Species of MetaboliteComponentSourceComments
Fusarium graminearum (ncbitaxon:5518) - PubMed (25403493)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
NX-3 (CHEBI:220518) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,2R,3R,7R,10R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,10-diol