CHEBI:187612 - LY293111

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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 LY293111
ChEBI ID CHEBI:187612
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H33FO6
Net Charge 0
Average Mass 544.619
Monoisotopic Mass 544.22612
InChI InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)
InChIKey YFIZRWPXUYFCSN-UHFFFAOYSA-N
SMILES FC1=CC=C(C=2C=C(C(OCCCOC3=C(CCC)C(OC=4C(=CC=CC4)C(O)=O)=CC=C3)=CC2O)CC)C=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing LY293111 (CHEBI:187612) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-[3-[3-[2-ethyl-4-(4-luorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
Manual Xrefs Databases
154905 ChemSpider
D04074 KEGG DRUG
DB12850 KEGG DRUG
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Registry Number Type Source
161172-51-6 CAS Registry Number ChemIDplus