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CHEBI:183976 - 1-(benzo[d][1,3]dioxol-4-yl)-2-(methylamino)pentan-1-one

ChEBI IDCHEBI:183976
ChEBI Name1-(benzo[d][1,3]dioxol-4-yl)-2-(methylamino)pentan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO3
Net Charge0
Average Mass235.283
Monoisotopic Mass235.12084
SMILESCCCC(NC)C(=O)c1cccc2c1OCO2
InChIInChI=1S/C13H17NO3/c1-3-5-10(14-2)12(15)9-6-4-7-11-13(9)17-8-16-11/h4,6-7,10,14H,3,5,8H2,1-2H3
InChIKeyVLOXGPWMPMAHSR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
1-(benzo[d][1,3]dioxol-4-yl)-2-(methylamino)pentan-1-one (CHEBI:183976) is a butanone (CHEBI:22951)
IUPAC Name 
1-(1,3-benzodioxol-4-yl)-2-(methylamino)pentan-1-one
Manual XrefsDatabases
52085071ChemSpider