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CHEBI:173999 - Valeracetate

ChEBI IDCHEBI:173999
ChEBI NameValeracetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O3
Net Charge0
Average Mass280.408
Monoisotopic Mass280.20384
SMILESCC(=O)OCC1(C)OC2(C)CCC1CC1C(C)CCC12
InChIInChI=1S/C17H28O3/c1-11-5-6-15-14(11)9-13-7-8-16(15,3)20-17(13,4)10-19-12(2)18/h11,13-15H,5-10H2,1-4H3
InChIKeyDWBIYQVLFODAMM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Valeracetate (CHEBI:173999) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1,5,9-trimethyl-10-oxatricyclo[6.2.2.02,6]dodecan-9-yl)methyl acetate
Manual XrefsDatabases
35015171ChemSpider
HMDB0041388HMDB