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CHEBI:206306 - 3,6,7-Tri-epi-invictolide

ChEBI IDCHEBI:206306
ChEBI Name3,6,7-Tri-epi-invictolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESCCC[C@H](C)[C@H]1OC(=O)[C@@H](C)C[C@H]1C
InChIInChI=1S/C12H22O2/c1-5-6-8(2)11-9(3)7-10(4)12(13)14-11/h8-11H,5-7H2,1-4H3/t8-,9+,10-,11+/m0/s1
InChIKeyAZBHSLUQWMFDHU-ZRUFSTJUSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (21326250)
ChEBI Ontology
Outgoing Relation(s)
3,6,7-Tri-epi-invictolide (CHEBI:206306) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3S,5R,6R)-3,5-dimethyl-6-[(2S)-pentan-2-yl]oxan-2-one
Manual XrefsDatabases
27022354ChemSpider