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CHEBI:226973 - Modiolide E

ChEBI IDCHEBI:226973
ChEBI NameModiolide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCC(=O)O[C@@H]1/C=C/[C@@H](O)/C=C\C(=O)O[C@H](C)C1
InChIInChI=1S/C12H16O5/c1-8-7-11(17-9(2)13)5-3-10(14)4-6-12(15)16-8/h3-6,8,10-11,14H,7H2,1-2H3/b5-3+,6-4-/t8-,10-,11-/m1/s1
InChIKeyFOGLINAQDGTJSF-FQVZCSIUSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (29946066)
ChEBI Ontology
Outgoing Relation(s)
Modiolide E (CHEBI:226973) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,4S,5E,7R,8Z)-7-hydroxy-2-methyl-10-oxo-2,3,4,7-tetrahydrooxecin-4-yl] acetate
Manual XrefsDatabases
71044387ChemSpider