MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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4-nitroquinoline N-oxide

	Properties	Image
MNX_ID	MNXM2490
reference	chebi:16907
formula	C₉H₆N₂O₃
global charge	0
mol weight	190.158
InChIKey	YHQDZJICGQWFHK-UHFFFAOYSA-N
InChI	InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
SMILES	O=[N+]([O-])C1=C2C=CC=CC2=[N+]([O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[C:9]([N+:11]([O-:13])=[O:14])=[CH:5][CH:6]=[N+:10]2[O-:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16907 chebi:16907 YHQDZJICGQWFHK-UHFFFAOYSA-N	4-nitroquinoline N-oxide 4-Nitroquinoline 1-oxide 4-Nitroquinoline N-oxide 4-Nitroquinoline-1-oxide 4-Nitroquinoline-N-oxide 4-nitroquinoline 1-oxide Nitrochin
vmhM:4nqnln1o vmhmetabolite:4nqnln1o YHQDZJICGQWFHK-UHFFFAOYSA-N	4-Nitroquinoline 1-oxide
seed.compound:cpd02195 seedM:cpd02195 YHQDZJICGQWFHK-UHFFFAOYSA-N	4-Nitroquinoline 1-oxide 4-Nitroquinoline N-oxide 4-nitroquinoline-N-oxide Nitrochin
hmdb:HMDB0246549 YHQDZJICGQWFHK-UHFFFAOYSA-N	4-Nitroquinoline N-oxide 4 Nitroquinoline 1 oxide 4 Nitroquinoline N oxide 4 nitroquinoline 1 oxide 4-Nitroquinoline 1-oxide 4-Nitroquinoline-1-oxide 4-Nitroquinoline-N-oxide 4-nitro-1lambda⁵-quinolin-1-one Nitrochin
kegg.compound:C03474 keggC:C03474 YHQDZJICGQWFHK-UHFFFAOYSA-N	4-Nitroquinoline N-oxide 4-Nitroquinoline 1-oxide Nitrochin
metacyc.compound:4-NITROQUINOLINE-N-OXIDE metacycM:4-NITROQUINOLINE-N-OXIDE YHQDZJICGQWFHK-UHFFFAOYSA-N	4-nitroquinoline-N-oxide
chebi:12037 chebi:1917 chebi:20460 chebi:57944 keggC:M_C03474 seedM:M_cpd02195 vmhM:M_4nqnln1o	secondary/obsolete/fantasy identifier