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CHEBI:230383 - Isobutylxanthine

ChEBI IDCHEBI:230383
ChEBI NameIsobutylxanthine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12N4O2
Net Charge0
Average Mass208.221
Monoisotopic Mass208.09603
SMILESCC(C)Cn1c(=O)nc2ncnc2c1=O
InChIInChI=1S/C9H12N4O2/c1-5(2)3-13-8(14)6-7(11-4-10-6)12-9(13)15/h4-5H,3H2,1-2H3,(H,10,11)(H,12,15)
InChIKeyRDSUFEJPLMOUOL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Isobutylxanthine (CHEBI:230383) is a oxopurine (CHEBI:25810)
IUPAC Name 
1-(2-methylpropyl)-3,7-dihydropurine-2,6-dione
Manual XrefsDatabases
14192872ChemSpider
HMDB0253613HMDB