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

ChEBI IDCHEBI:169264
ChEBI Name2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19NO3
Net Charge0
Average Mass321.376
Monoisotopic Mass321.13649
SMILESO=c1cc(CCCCc2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=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)
InChIKeyWVIITJBBQPBPEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
4884966ChemSpider
HMDB0030382HMDB