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CHEBI:181191 - 3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one

ChEBI IDCHEBI:181191
ChEBI Name3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESCC(=O)CCCC1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C14H16O4/c1-9(15)4-2-6-11-8-10-5-3-7-12(16)13(10)14(17)18-11/h3,5,7,11,16H,2,4,6,8H2,1H3
InChIKeyKEYNBOUNPFJEST-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one (CHEBI:181191) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
22369653ChemSpider