EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188368 - 1-octen-3-ol acetate

ChEBI IDCHEBI:188368
ChEBI Name1-octen-3-ol acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC2H4O2.C8H16O
Net Charge0
Average Mass188.267
Monoisotopic Mass188.14124
SMILESC=CC(O)CCCCC.CC(=O)O
InChIInChI=1S/C8H16O.C2H4O2/c1-3-5-6-7-8(9)4-2;1-2(3)4/h4,8-9H,2-3,5-7H2,1H3;1H3,(H,3,4)
InChIKeyAQFJTEXFXXYPBS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) MetaboLights (MTBLS3201)
ChEBI Ontology
Outgoing Relation(s)
1-octen-3-ol acetate (CHEBI:188368) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
acetic acid;oct-1-en-3-ol
Manual XrefsDatabases
57536812ChemSpider