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CHEBI:177546 - arildone

ChEBI IDCHEBI:177546
ChEBI Namearildone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29ClO4
Net Charge0
Average Mass368.901
Monoisotopic Mass368.17544
SMILESCCC(=O)C(CCCCCCOc1ccc(OC)cc1Cl)C(=O)CC
InChIInChI=1S/C20H29ClO4/c1-4-18(22)16(19(23)5-2)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21/h11-12,14,16H,4-10,13H2,1-3H3
InChIKeyDIXRMZGIJNJUGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
arildone (CHEBI:177546) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]heptane-3,5-dione
Manual XrefsDatabases
38124ChemSpider
D02984KEGG DRUG
Registry NumbersSources
CAS:56219-57-9ChemIDplus