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CHEBI:231213 - Caffeinol

ChEBI IDCHEBI:231213
ChEBI NameCaffeinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10N4O3
Net Charge0
Average Mass210.193
Monoisotopic Mass210.07529
SMILESCn1cnc2c1c(=O)n(CO)c(=O)n2C
InChIInChI=1S/C8H10N4O3/c1-10-3-9-6-5(10)7(14)12(4-13)8(15)11(6)2/h3,13H,4H2,1-2H3
InChIKeyNXGJWKRNZOULRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Caffeinol (CHEBI:231213) is a oxopurine (CHEBI:25810)
IUPAC Name 
1-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione
Manual XrefsDatabases
21782229ChemSpider
HMDB0249533HMDB