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CHEBI:168220 - 5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran

ChEBI IDCHEBI:168220
ChEBI Name5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O3
Net Charge0
Average Mass244.290
Monoisotopic Mass244.10994
SMILESCC(C)=CCCC(=O)c1cc2cc(O)ccc2o1
InChIInChI=1S/C15H16O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,16H,3,5H2,1-2H3
InChIKeyLQWRIKCEOOIFSI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran (CHEBI:168220) is a benzofurans (CHEBI:35259)
IUPAC Name 
1-(5-hydroxy-1-benzouran-2-yl)-5-methylhex-4-en-1-one
Manual XrefsDatabases
HMDB0031925HMDB
8999487ChemSpider