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CHEBI:167849 - Sedanolide

ChEBI IDCHEBI:167849
ChEBI NameSedanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O2
Net Charge0
Average Mass194.274
Monoisotopic Mass194.13068
SMILESCCCCC1OC(=O)C2=CCCCC21
InChIInChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3
InChIKeyUPJFTVFLSIQQAV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Sedanolide (CHEBI:167849) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
3-butyl-3a,4,5,6-tetrahydro-3H-2-benzouran-1-one
Manual XrefsDatabases
4197506ChemSpider
HMDB0034450HMDB
Registry NumbersSources
CAS:6415-59-4ChemIDplus