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CHEBI:221912 - Helicascolide C

ChEBI IDCHEBI:221912
ChEBI NameHelicascolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESC/C=C(\C)[C@@H]1OC(=O)C(C)(C)C(=O)[C@H]1C
InChIInChI=1S/C12H18O3/c1-6-7(2)9-8(3)10(13)12(4,5)11(14)15-9/h6,8-9H,1-5H3/b7-6+/t8-,9-/m0/s1
InChIKeyFCTVAZHNKONSMQ-YKAJXJTPSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - DOI (10.1016/j.phytol.2011.10.006)
ChEBI Ontology
Outgoing Relation(s)
Helicascolide C (CHEBI:221912) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(5S,6R)-6-[(E)-but-2-en-2-yl]-3,3,5-trimethyloxane-2,4-dione
Manual XrefsDatabases
28185154ChemSpider