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CHEBI:220512 - NX-2

ChEBI IDCHEBI:220512
ChEBI NameNX-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESCC(=O)O[C@@H]1C[C@@]2(C)C3(CO3)C1O[C@@H]1C=C(C)C[C@@H](O)[C@@]12CO
InChIInChI=1S/C17H24O6/c1-9-4-12(20)16(7-18)13(5-9)23-14-11(22-10(2)19)6-15(16,3)17(14)8-21-17/h5,11-14,18,20H,4,6-8H2,1-3H3/t11-,12-,13-,14?,15-,16+,17?/m1/s1
InChIKeyNKCFJIIVGLENIK-SFMCAAARSA-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-2 (CHEBI:220512) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,2R,3R,7R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate