CHEBI:202480 - Octylparaben

ChEBI IDCHEBI:202480
ChEBI NameOctylparaben
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCCCCCCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3
InChIKeyRIKCMEDSBFQFAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microbulbiferspecies (ncbitaxon:1908541) - PubMed (19226298)
ChEBI Ontology
Outgoing Relation(s)
Octylparaben (CHEBI:202480) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
octyl 4-hydroxybenzoate
Manual XrefsDatabases
13976ChemSpider
D91874KEGG DRUG