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CHEBI:224508 - Helicascolide E

ChEBI IDCHEBI:224508
ChEBI NameHelicascolide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O5
Net Charge0
Average Mass270.325
Monoisotopic Mass270.14672
SMILESCC(=O)OCC=C(C)[C@H]1OC(=O)C(C)(C)[C@H](O)[C@@H]1C
InChIInChI=1S/C14H22O5/c1-8(6-7-18-10(3)15)11-9(2)12(16)14(4,5)13(17)19-11/h6,9,11-12,16H,7H2,1-5H3/t9-,11-,12-/m1/s1
InChIKeyXIJHOISFQHRMER-YUSALJHKSA-N
Species of MetaboliteComponentSourceComments
Daldinia (ncbitaxon:42360) - PubMed (31373815)
ChEBI Ontology
Outgoing Relation(s)
Helicascolide E (CHEBI:224508) is a δ-lactone (CHEBI:18946)
IUPAC Name 
3-[(2S,3S,4R)-4-hydroxy-3,5,5-trimethyl-6-oxooxan-2-yl]but-2-enyl acetate