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CHEBI:227699 - Vibralactone S

ChEBI IDCHEBI:227699
ChEBI NameVibralactone S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCC1=CC=C(C[C@H]2CCOC2=O)C(=O)OC1
InChIInChI=1S/C12H14O4/c1-8-2-3-9(12(14)16-7-8)6-10-4-5-15-11(10)13/h2-3,10H,4-7H2,1H3/t10-/m1/s1
InChIKeyPRXUROGWHNGIOJ-SNVBAGLBSA-N
ChEBI Ontology
Outgoing Relation(s)
Vibralactone S (CHEBI:227699) is a γ-lactone (CHEBI:37581)
IUPAC Name 
3-methyl-6-[(2-oxooxolan-3-yl)methyl]-2H-oxepin-7-one
Manual XrefsDatabases
76811738ChemSpider