CHEBI:227207 - Butyl nonactate

ChEBI IDCHEBI:227207
ChEBI NameButyl nonactate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O4
Net Charge0
Average Mass272.385
Monoisotopic Mass272.19876
SMILESCCCCOC(=O)[C@@H](C)[C@@H]1CC[C@H](C[C@H](O)CC)O1
InChIInChI=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
InChIKeyZFKDLZOPYLJGOP-DGAVXFQQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.phytol.2015.04.001)
ChEBI Ontology
Outgoing Relation(s)
Butyl nonactate (CHEBI:227207) is a oxolanes (CHEBI:26912)
IUPAC Name 
butyl (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxybutyl]oxolan-2-yl]propanoate
Manual XrefsDatabases
40256805ChemSpider