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CHEBI:211611 - (1S)-1,5-secovibralactone

ChEBI IDCHEBI:211611
ChEBI Name(1S)-1,5-secovibralactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCC(C)=CC[C@H]1C=C(CO)C=COC1=O
InChIInChI=1S/C12H16O3/c1-9(2)3-4-11-7-10(8-13)5-6-15-12(11)14/h3,5-7,11,13H,4,8H2,1-2H3/t11-/m0/s1
InChIKeyGBGOKTDQCPDZMS-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Boreostereum vibrans (ncbitaxon:1826779) - PubMed (18758102)
ChEBI Ontology
Outgoing Relation(s)
(1S)-1,5-secovibralactone (CHEBI:211611) is a ester (CHEBI:35701)
IUPAC Name 
(3S)-5-(hydroxymethyl)-3-(3-methylbut-2-enyl)-3H-oxepin-2-one
Manual XrefsDatabases
78441315ChemSpider