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CHEBI:219008 - Lactone diacid 7-O-n-butyl ester

Default Structure
ChEBI IDCHEBI:219008
ChEBI NameLactone diacid 7-O-n-butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O7
Net Charge0
Average Mass348.351
Monoisotopic Mass348.12090
SMILESCCCCOC(=O)CC[C@@]1(C(=O)O)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C18H20O7/c1-2-3-11-24-13(19)9-10-18(17(22)23)14(15(20)16(21)25-18)12-7-5-4-6-8-12/h4-8,20H,2-3,9-11H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyUYFHDPQUHCRWMW-GOSISDBHSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - PubMed (29135916)
ChEBI Ontology
Outgoing Relation(s)
Lactone diacid 7-O-n-butyl ester (CHEBI:219008) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R)-2-(3-butoxy-3-oxopropyl)-4-hydroxy-5-oxo-3-phenyluran-2-carboxylic acid
Manual XrefsDatabases
62816315ChemSpider