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CHEBI:205385 - Stagonolide B

ChEBI IDCHEBI:205385
ChEBI NameStagonolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESCCC[C@H]1OC(=O)CC[C@@H](O)/C=C/[C@H](O)[C@@H]1O
InChIInChI=1S/C12H20O5/c1-2-3-10-12(16)9(14)6-4-8(13)5-7-11(15)17-10/h4,6,8-10,12-14,16H,2-3,5,7H2,1H3/b6-4+/t8-,9-,10+,12-/m0/s1
InChIKeyBFIDNRPVSXOGQW-AZIMCRLHSA-N
Species of MetaboliteComponentSourceComments
Stagonospora cirsii (ncbitaxon:2772424) - PubMed (18088096)
ChEBI Ontology
Outgoing Relation(s)
Stagonolide B (CHEBI:205385) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2R,3S,4S,5E,7R)-3,4,7-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Manual XrefsDatabases
23314617ChemSpider