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CHEBI:218700 - Aspergillusine A

ChEBI IDCHEBI:218700
ChEBI NameAspergillusine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17N3O2
Net Charge0
Average Mass223.276
Monoisotopic Mass223.13208
SMILESCC(C)Cc1cc(=O)nc(CCC(N)=O)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)5-8-6-11(16)14-10(13-8)4-3-9(12)15/h6-7H,3-5H2,1-2H3,(H2,12,15)(H,13,14,16)
InChIKeyYKZOVRRLWLNQJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/S1875-5364(18)30050-5)
ChEBI Ontology
Outgoing Relation(s)
Aspergillusine A (CHEBI:218700) is a hydroxypyrimidine (CHEBI:38340)
IUPAC Name 
3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide
Manual XrefsDatabases
71048573ChemSpider