CHEBI:177546 - arildone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name arildone
ChEBI ID CHEBI:177546
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H29ClO4
Net Charge 0
Average Mass 368.900
Monoisotopic Mass 368.17544
InChI InChI=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
InChIKey DIXRMZGIJNJUGL-UHFFFAOYSA-N
SMILES ClC1=C(OCCCCCCC(C(=O)CC)C(=O)CC)C=CC(OC)=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing arildone (CHEBI:177546) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]heptane-3,5-dione
Manual Xrefs Databases
38124 ChemSpider
D02984 KEGG DRUG
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Registry Number Type Source
56219-57-9 CAS Registry Number ChemIDplus