CHEBI:200327 - (+)-ethyl homononactate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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:200327
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H24O4
Net Charge 0
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-/m0/s1
InChIKey KJHMFBXSFYEECB-QCNOEVLYSA-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:200327) is a oxolanes (CHEBI:26912)
IUPAC Name
ethyl (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxybutyl]oxolan-2-yl]propanoate
Manual Xref Database
78436605 ChemSpider
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