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CHEBI:226761 - Myrolactone A

ChEBI IDCHEBI:226761
ChEBI NameMyrolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESCO[C@@]1(C)OC(=O)C(C)=C1CO
InChIInChI=1S/C8H12O4/c1-5-6(4-9)8(2,11-3)12-7(5)10/h9H,4H2,1-3H3/t8-/m0/s1
InChIKeyUAROWJVKFBMGIK-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (21985747)
ChEBI Ontology
Outgoing Relation(s)
Myrolactone A (CHEBI:226761) is a ketal (CHEBI:59777)
IUPAC Name 
(5S)-4-(hydroxymethyl)-5-methoxy-3,5-dimethyluran-2-one
Manual XrefsDatabases
61604457ChemSpider