CHEBI:169078 - Nonyl octanoate

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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 Nonyl octanoate
ChEBI ID CHEBI:169078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H34O2
Net Charge 0
Average Mass 270.457
Monoisotopic Mass 270.25588
InChI InChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
InChIKey HSGQXSBXGSRINJ-UHFFFAOYSA-N
SMILES O(CCCCCCCCC)C(=O)CCCCCCC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Nonyl octanoate (CHEBI:169078) is a carboxylic ester (CHEBI:33308)
IUPAC Name
nonyl octanoate
Manual Xrefs Databases
512326 ChemSpider
HMDB0034131 HMDB
LMFA07010978 LIPID MAPS
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Registry Number Type Source
7786-48-3 CAS Registry Number ChemIDplus