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CHEBI:212988 - 4-methoxylactone acid n-butyl ester

ChEBI IDCHEBI:212988
ChEBI Name4-methoxylactone acid n-butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESCCCCOC(=O)CC[C@]1(OC)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C18H22O6/c1-3-4-12-23-14(19)10-11-18(22-2)15(16(20)17(21)24-18)13-8-6-5-7-9-13/h5-9,20H,3-4,10-12H2,1-2H3/t18-/m0/s1
InChIKeyLMOQUNFVROTNBM-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - PubMed (29135916)
ChEBI Ontology
Outgoing Relation(s)
4-methoxylactone acid n-butyl ester (CHEBI:212988) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
butyl 3-(4-hydroxy-2-methoxy-5-oxo-3-phenyluran-2-yl)propanoate
Manual XrefsDatabases
62816314ChemSpider