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CHEBI:190027 - 8-methylcaffeine

ChEBI IDCHEBI:190027
ChEBI Name8-methylcaffeine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12N4O2
Net Charge0
Average Mass208.221
Monoisotopic Mass208.09603
SMILESCc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIInChI=1S/C9H12N4O2/c1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3/h1-4H3
InChIKeyLFHHOHMIVKIHMG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
8-methylcaffeine (CHEBI:190027) is a oxopurine (CHEBI:25810)
IUPAC Name 
1,3,7,8-tetramethylpurine-2,6-dione
Manual XrefsDatabases
57694ChemSpider
Registry NumbersSources
CAS:832-66-6ChemIDplus