Butyl nonactate (CHEBI:227207)

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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	Butyl nonactate

ChEBI ID	CHEBI:227207

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H28O4

Net Charge

Average Mass

272.385

Monoisotopic Mass

272.19876

InChI

InChI=1S/C15H28O4/c1-4-6-9-18-15(17)11(3)14-8-7-13(19-14)10-12(16)5-2/h11-14,16H,4-10H2,1-3H3/t11-,12+,13+,14-/m0/s1

InChIKey

ZFKDLZOPYLJGOP-DGAVXFQQSA-N

SMILES

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

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: DOI

ChEBI Ontology
Outgoing	Butyl nonactate (CHEBI:227207) is a oxolanes (CHEBI:26912)

IUPAC Name

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