EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185907 - Isoquinoline N-oxide

ChEBI IDCHEBI:185907
ChEBI NameIsoquinoline N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H7NO
Net Charge0
Average Mass145.161
Monoisotopic Mass145.05276
SMILES[O-][n+]1ccc2ccccc2c1
InChIInChI=1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyRZIAABRFQASVSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isoquinoline N-oxide (CHEBI:185907) is a isoquinolines (CHEBI:24922)
IUPAC Name 
2-oxidoisoquinolin-2-ium
Manual XrefsDatabases
256210ChemSpider
Registry NumbersSources
CAS:1532-72-5ChemIDplus