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CHEBI:212983 - Lactone acid n-butyl ester

ChEBI IDCHEBI:212983
ChEBI NameLactone acid n-butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O5
Net Charge0
Average Mass304.342
Monoisotopic Mass304.13107
SMILESCCCCOC(=O)CC[C@@H]1OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C17H20O5/c1-2-3-11-21-14(18)10-9-13-15(16(19)17(20)22-13)12-7-5-4-6-8-12/h4-8,13,19H,2-3,9-11H2,1H3/t13-/m0/s1
InChIKeyMBRSJCGZRGJMRR-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - PubMed (29135916)
ChEBI Ontology
Outgoing Relation(s)
Lactone acid n-butyl ester (CHEBI:212983) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
butyl 3-(4-hydroxy-5-oxo-3-phenyl-2H-uran-2-yl)propanoate
Manual XrefsDatabases
78435266ChemSpider