2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone (CHEBI:169264)

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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	2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone

ChEBI ID	CHEBI:169264

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H19NO3

Net Charge

Average Mass

321.376

Monoisotopic Mass

321.13649

InChI

InChI=1S/C20H19NO3/c22-18-12-15(21-17-8-4-3-7-16(17)18)6-2-1-5-14-9-10-19-20(11-14)24-13-23-19/h3-4,7-12H,1-2,5-6,13H2,(H,21,22)

InChIKey

WVIITJBBQPBPEB-UHFFFAOYSA-N

SMILES

O1C=2C=C(CCCCC=3NC=4C(C(=O)C3)=CC=CC4)C=CC2OC1

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone (CHEBI:169264) is a quinolines (CHEBI:26513)

IUPAC Name

2-[4-(1,3-benzodioxol-5-yl)butyl]-1H-quinolin-4-one