(+)-ethyl nonactate (CHEBI:222352)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(+)-ethyl nonactate

ChEBI ID	CHEBI:222352

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H22O4

Net Charge

Average Mass

230.304

Monoisotopic Mass

230.15181

InChI

InChI=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

InChIKey

TYLXUBSIWBBGAA-YTWAJWBKSA-N

SMILES

O=C(OCC)[C@H]([C@H]1O[C@@H](C[C@H](O)C)CC1)C

Metabolite of Species	Details
Bacillus pumilus (NCBI:txid1408)	See: PubMed

ChEBI Ontology
Outgoing	(+)-ethyl nonactate (CHEBI:222352) is a oxolanes (CHEBI:26912)

IUPAC Name

ethyl (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoate