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CHEBI:183354 - 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione

ChEBI IDCHEBI:183354
ChEBI Name1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H21FO3
Net Charge0
Average Mass412.460
Monoisotopic Mass412.14747
SMILESCOc1ccc(C(CC(=O)c2ccc3ccccc3c2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H21FO3/c1-31-24-14-10-19(11-15-24)25(27(30)20-8-12-23(28)13-9-20)17-26(29)22-7-6-18-4-2-3-5-21(18)16-22/h2-16,25H,17H2,1H3
InChIKeyISUOKKMFFFREDN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione (CHEBI:183354) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
1-(4-luorophenyl)-2-(4-methoxyphenyl)-4-naphthalen-2-ylbutane-1,4-dione
Manual XrefsDatabases
2014639ChemSpider