CHEBI:88386 - Amyl salicylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Amyl salicylate
ChEBI ID CHEBI:88386
Stars This entity has been manually annotated by a third party.
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Formula C12H16O3
Net Charge 0
Average Mass 208.254
Monoisotopic Mass 208.10994
InChI InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3
InChIKey RANVDUNFZBMTBK-UHFFFAOYSA-N
SMILES CCCCCOC(C1=CC=CC=C1O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
ChEBI Ontology
Outgoing Amyl salicylate (CHEBI:88386) is a benzoate ester (CHEBI:36054)
IUPAC Name
pentyl 2-hydroxybenzoate
Synonyms Sources
2-Hydroxybenzoic acid, pentyl ester HMDB
Benzoic acid, 2-hydroxy-, pentyl ester HMDB
N-Amyl salicylate HMDB
Pentyl 2-hydroxybenzoate HMDB
Pentyl salicylate HMDB
Salicylic acid, amyl ester HMDB
Salicylic acid, pentyl ester HMDB
Manual Xref Database
HMDB0038604 HMDB
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Registry Number Type Source
2050-08-0 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
24421258 PubMed citation Europe PMC