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CHEBI:212721 - Phenethyl 5-hydroxy-4-oxohexanoate

ChEBI IDCHEBI:212721
ChEBI NamePhenethyl 5-hydroxy-4-oxohexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESC[C@H](O)C(=O)CCC(=O)OCCc1ccccc1
InChIInChI=1S/C14H18O4/c1-11(15)13(16)7-8-14(17)18-10-9-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3/t11-/m0/s1
InChIKeyCBRTUJLHRMPSSF-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - DOI (10.1007/s10600-017-1994-3)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phenethyl 5-hydroxy-4-oxohexanoate (CHEBI:212721) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
2-phenylethyl 5-hydroxy-4-oxohexanoate
Manual XrefsDatabases
67172845ChemSpider