CHEBI:179191 - (E)-2-Octenyl butyrate

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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 (E)-2-Octenyl butyrate
ChEBI ID CHEBI:179191
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H22O2
Net Charge 0
Average Mass 198.306
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKey GPINUUWEKPNDBB-CMDGGOBGSA-N
SMILES O(C\C=C\CCCCC)C(=O)CCC
ChEBI Ontology
Outgoing (E)-2-Octenyl butyrate (CHEBI:179191) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(E)-oct-2-enyl] butanoate
Manual Xrefs Databases
4515101 ChemSpider
LMFA07010603 LIPID MAPS
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Registry Number Type Source
84642-60-4 CAS Registry Number ChemIDplus