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CHEBI:178141 - 8-Chloroxanthine

ChEBI IDCHEBI:178141
ChEBI Name8-Chloroxanthine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H3ClN4O2
Net Charge0
Average Mass186.558
Monoisotopic Mass185.99445
SMILESO=c1nc(=O)c2nc(Cl)nc2n1
InChIInChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)
InChIKeyOZPCWWUKRLUQSS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
8-Chloroxanthine (CHEBI:178141) is a oxopurine (CHEBI:25810)
IUPAC Name 
8-chloro-3,7-dihydropurine-2,6-dione
Manual XrefsDatabases
24315ChemSpider
HMDB0006039HMDB
Registry NumbersSources
CAS:13548-68-0ChemIDplus