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CHEBI:217310 - Stagonolide I

ChEBI IDCHEBI:217310
ChEBI NameStagonolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O4
Net Charge0
Average Mass198.218
Monoisotopic Mass198.08921
SMILESC[C@@H]1C[C@H](O)/C=C\[C@@H](O)/C=C\C(=O)O1
InChIInChI=1S/C10H14O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7-9,11-12H,6H2,1H3/b3-2-,5-4-/t7-,8-,9-/m1/s1
InChIKeyMKPZLFSGCUYQEY-UNPLIRBPSA-N
Species of MetaboliteComponentSourceComments
Stagonospora (ncbitaxon:54788) - PubMed (18959441)
ChEBI Ontology
Outgoing Relation(s)
Stagonolide I (CHEBI:217310) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2R,4S,5Z,7R,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one
Manual XrefsDatabases
31122496ChemSpider