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CHEBI:222352 - (+)-ethyl nonactate

ChEBI IDCHEBI:222352
ChEBI Name(+)-ethyl nonactate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O4
Net Charge0
Average Mass230.304
Monoisotopic Mass230.15181
SMILESCCOC(=O)[C@@H](C)[C@@H]1CC[C@H](C[C@@H](C)O)O1
InChIInChI=1S/C12H22O4/c1-4-15-12(14)9(3)11-6-5-10(16-11)7-8(2)13/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1
InChIKeyTYLXUBSIWBBGAA-YTWAJWBKSA-N
Species of MetaboliteComponentSourceComments
Bacillus pumilus (ncbitaxon:1408) - PubMed (25044594)
ChEBI Ontology
Outgoing Relation(s)
(+)-ethyl nonactate (CHEBI:222352) is a oxolanes (CHEBI:26912)
IUPAC Name 
ethyl (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoate
Manual XrefsDatabases
78437699ChemSpider