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CHEBI:227846 - Stagonosporyne E

ChEBI IDCHEBI:227846
ChEBI NameStagonosporyne E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESC=C(C)C#C[C@]1(O)[C@@H]2OC(=O)O[C@@H]2C=C[C@@H]1O
InChIInChI=1S/C12H12O5/c1-7(2)5-6-12(15)9(13)4-3-8-10(12)17-11(14)16-8/h3-4,8-10,13,15H,1H2,2H3/t8-,9+,10-,12-/m1/s1
InChIKeyWQZDZOAJQYMPDE-DTHBNOIPSA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum SN15 (ncbitaxon:321614) - PubMed (31302342)
ChEBI Ontology
Outgoing Relation(s)
Stagonosporyne E (CHEBI:227846) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aR,4R,5S,7aR)-4,5-dihydroxy-4-(3-methylbut-3-en-1-ynyl)-5,7a-dihydro-3aH-1,3-benzodioxol-2-one