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CHEBI:227837 - Stagonosporyne C

ChEBI IDCHEBI:227837
ChEBI NameStagonosporyne C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5
Net Charge0
Average Mass254.282
Monoisotopic Mass254.11542
SMILESC=C(C)C#C[C@@]1(O)[C@H](O)CC[C@@H](OC(C)=O)[C@@H]1O
InChIInChI=1S/C13H18O5/c1-8(2)6-7-13(17)11(15)5-4-10(12(13)16)18-9(3)14/h10-12,15-17H,1,4-5H2,2-3H3/t10-,11-,12+,13-/m1/s1
InChIKeyVXPJRJCOSJPURW-FVCCEPFGSA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum SN15 (ncbitaxon:321614) - PubMed (31302342)
ChEBI Ontology
Outgoing Relation(s)
Stagonosporyne C (CHEBI:227837) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
[(1R,2S,3R,4R)-2,3,4-trihydroxy-3-(3-methylbut-3-en-1-ynyl)cyclohexyl] acetate