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CHEBI:187612 - LY293111

ChEBI IDCHEBI:187612
ChEBI NameLY293111
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H33FO6
Net Charge0
Average Mass544.619
Monoisotopic Mass544.22612
SMILESCCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O
InChIInChI=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)
InChIKeyYFIZRWPXUYFCSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
154905ChemSpider
D04074KEGG DRUG
DB12850DrugBank
Registry NumbersSources
CAS:161172-51-6ChemIDplus