CHEBI:185907 - Isoquinoline N-oxide

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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 Isoquinoline N-oxide
ChEBI ID CHEBI:185907
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H7NO
Net Charge 0
Average Mass 145.161
Monoisotopic Mass 145.05276
InChI InChI=1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey RZIAABRFQASVSW-UHFFFAOYSA-N
SMILES [O-][N+]1=CC=2C(C=C1)=CC=CC2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Isoquinoline N-oxide (CHEBI:185907) is a isoquinolines (CHEBI:24922)
IUPAC Name
2-oxidoisoquinolin-2-ium
Manual Xref Database
256210 ChemSpider
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Registry Number Type Source
1532-72-5 CAS Registry Number ChemIDplus