EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213196 - 4-(4-hydroxyphenethoxy)-4-oxobutanoic acid

ChEBI IDCHEBI:213196
ChEBI Name4-(4-hydroxyphenethoxy)-4-oxobutanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESO=C(O)CCC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C12H14O5/c13-10-3-1-9(2-4-10)7-8-17-12(16)6-5-11(14)15/h1-4,13H,5-8H2,(H,14,15)
InChIKeyCVLYVXSOQKJPAE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - DOI (10.1016/j.phytol.2014.11.018)
ChEBI Ontology
Outgoing Relation(s)
4-(4-hydroxyphenethoxy)-4-oxobutanoic acid (CHEBI:213196) is a alcohol (CHEBI:30879)
4-(4-hydroxyphenethoxy)-4-oxobutanoic acid (CHEBI:213196) is a phenols (CHEBI:33853)
IUPAC Name 
4-[2-(4-hydroxyphenyl)ethoxy]-4-oxobutanoic acid
Manual XrefsDatabases
78435858ChemSpider