(-)-ethyl homononactate (CHEBI:222512)

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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 homononactate

ChEBI ID	CHEBI:222512

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H24O4

Net Charge

Average Mass

244.331

Monoisotopic Mass

244.16746

InChI

InChI=1S/C13H24O4/c1-4-10(14)8-11-6-7-12(17-11)9(3)13(15)16-5-2/h9-12,14H,4-8H2,1-3H3/t9-,10+,11+,12-/m1/s1

InChIKey

KJHMFBXSFYEECB-NOOOWODRSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	(-)-ethyl homononactate (CHEBI:222512) is a oxolanes (CHEBI:26912)

IUPAC Name

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