EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88639 - Ethylhexyl salicylate

ChEBI IDCHEBI:88639
ChEBI NameEthylhexyl salicylate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCCCCC(CC)COC(=O)c1ccccc1O
InChIInChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
InChIKeyFMRHJJZUHUTGKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
Ethylhexyl salicylate (CHEBI:88639) has functional parent salicylic acid (CHEBI:16914)
Ethylhexyl salicylate (CHEBI:88639) is a benzoate ester (CHEBI:36054)
Ethylhexyl salicylate (CHEBI:88639) is a phenols (CHEBI:33853)
Synonyms  Source
2-ethylhexyl 2-hydroxybenzoateHMDB
Ethylhexyl salicylic acidHMDB
octyl salicylateDrugCentral
Manual XrefsDatabases
HMDB0061839HMDB
4241DrugCentral
Registry NumbersSources
CAS:118-60-5DrugCentral
Citations