CHEBI:178141 - 8-Chloroxanthine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8-Chloroxanthine
ChEBI ID CHEBI:178141
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H3ClN4O2
Net Charge 0
Average Mass 186.560
Monoisotopic Mass 185.99445
InChI InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)
InChIKey OZPCWWUKRLUQSS-UHFFFAOYSA-N
SMILES ClC=1NC2=C(NC(=O)NC2=O)N1
Metabolite of Species Details
Arisaema erubescens (NCBI:txid228806) Found in bulb (BTO:0000159). See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Chloroxanthine (CHEBI:178141) is a oxopurine (CHEBI:25810)
IUPAC Name
8-chloro-3,7-dihydropurine-2,6-dione
Manual Xrefs Databases
24315 ChemSpider
HMDB0006039 HMDB
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Registry Number Type Source
13548-68-0 CAS Registry Number ChemIDplus