CHEBI:89726 - Octyl butanoate

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ChEBI Name Octyl butanoate ChEBI ID CHEBI:89726 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H24O2 Net Charge 0 Average Mass 200.318 Monoisotopic Mass 200.17763 InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3 InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N SMILES CCCCCCCCOC(CCC)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing Octyl butanoate (CHEBI:89726) is a carboxylic ester (CHEBI:33308) Synonyms Sources Butanoic acid, octyl ester HMDB Butyric acid, octyl ester HMDB Butyric acid, octyl ester (8CI) HMDB FEMA 2807 HMDB N-Octyl butanoate HMDB N-Octyl butyrate HMDB N-Octyl N-butyrate HMDB octyl butanoate HMDB Octyl butyrate HMDB Manual Xref Database HMDB0034136 HMDB View more database links Registry Number Type Source 110-39-4 CAS Registry Number KEGG COMPOUND Citation Type Source 21970810 PubMed citation Europe PMC