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CHEBI:228408 - 7-hydroxy-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

ChEBI IDCHEBI:228408
ChEBI Name7-hydroxy-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10N2O4
Net Charge0
Average Mass246.222
Monoisotopic Mass246.06406
SMILESO=c1c([N+](=O)[O-])c(O)c2cccc3c2n1CCC3
InChIInChI=1S/C12H10N2O4/c15-11-8-5-1-3-7-4-2-6-13(9(7)8)12(16)10(11)14(17)18/h1,3,5,15H,2,4,6H2
InChIKeyQLMBHOQBBXZBQL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
7-hydroxy-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one (CHEBI:228408) is a nitro compound (CHEBI:35715)
7-hydroxy-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one (CHEBI:228408) is a quinolines (CHEBI:26513)
IUPAC Name 
4-hydroxy-3-nitro-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
Manual XrefsDatabases
10494939ChemSpider