EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193478 - 6-(3-hydroxybutyl)-7-methoxy-2H-chromen-2-one

ChEBI IDCHEBI:193478
ChEBI Name6-(3-hydroxybutyl)-7-methoxy-2H-chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESCOc1cc2oc(=O)ccc2cc1CCC(C)O
InChIInChI=1S/C14H16O4/c1-9(15)3-4-10-7-11-5-6-14(16)18-13(11)8-12(10)17-2/h5-9,15H,3-4H2,1-2H3
InChIKeyHLUWJJNTMWZVBZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
6-(3-hydroxybutyl)-7-methoxy-2H-chromen-2-one (CHEBI:193478) is a coumarins (CHEBI:23403)
IUPAC Name 
6-(3-hydroxybutyl)-7-methoxychromen-2-one
Manual XrefsDatabases
74852401ChemSpider