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CHEBI:190050 - 3'-Oxopentobarbitone

ChEBI IDCHEBI:190050
ChEBI Name3'-Oxopentobarbitone
Stars
Last Modified20 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16N2O4
Net Charge0
Average Mass240.259
Monoisotopic Mass240.11101
SMILESCCC1(C(C)CC(C)=O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O4/c1-4-11(6(2)5-7(3)14)8(15)12-10(17)13-9(11)16/h6H,4-5H2,1-3H3,(H2,12,13,15,16,17)
InChIKeyOTTYPZNDIYXUOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
3'-Oxopentobarbitone (CHEBI:190050) is a pyrimidone (CHEBI:38337)
IUPAC Name 
5-ethyl-5-(4-oxopentan-2-yl)-1,3-diazinane-2,4,6-trione
Manual XrefsDatabases
2283695ChemSpider
Registry NumbersSources
CAS:31555-99-4ChemIDplus