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CHEBI:227842 - Stagonosporyne D

ChEBI IDCHEBI:227842
ChEBI NameStagonosporyne D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESC=C(C)C#C[C@]1(O)[C@@H]2OC(=O)O[C@@H]2CC[C@@H]1O
InChIInChI=1S/C12H14O5/c1-7(2)5-6-12(15)9(13)4-3-8-10(12)17-11(14)16-8/h8-10,13,15H,1,3-4H2,2H3/t8-,9+,10-,12-/m1/s1
InChIKeyVYTDXXJRGQKZPF-DTHBNOIPSA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum SN15 (ncbitaxon:321614) - PubMed (31302342)
ChEBI Ontology
Outgoing Relation(s)
Stagonosporyne D (CHEBI:227842) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aR,6S,7R,7aR)-6,7-dihydroxy-7-(3-methylbut-3-en-1-ynyl)-4,5,6,7a-tetrahydro-3aH-1,3-benzodioxol-2-one