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

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

ChEBI ID	CHEBI:183354

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C27H21FO3

Net Charge

Average Mass

412.460

Monoisotopic Mass

412.14747

InChI

InChI=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

InChIKey

ISUOKKMFFFREDN-UHFFFAOYSA-N

SMILES

FC1=CC=C(C(=O)C(CC(=O)C2=CC=3C(C=C2)=CC=CC3)C4=CC=C(OC)C=C4)C=C1

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

ChEBI Ontology
Outgoing	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