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CHEBI:88836 - Hexyl salicylic acid

ChEBI IDCHEBI:88836
ChEBI NameHexyl salicylic acid
Stars
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCCCCCCOC(=O)c1ccccc1O
InChIInChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
InChIKeyDUKPKQFHJQGTGU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
Hexyl salicylic acid (CHEBI:88836) is a benzoate ester (CHEBI:36054)
Synonyms  Source
Hexyl 2-hydroxybenzoateHMDB
hexyl 2-hydroxybenzoateHMDB
Hexyl salicylateHMDB
Hexyl 2-hydroxybenzoic acidHMDB
Manual XrefsDatabases
HMDB0061943HMDB
Citations