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

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4-(hydroxyamino)quinoline N-oxide

	Properties	Image
MNX_ID	MNXM2486
reference	chebi:28469
formula	C₉H₈N₂O₂
global charge	0
mol weight	176.175
InChIKey	XGXCMUKDRZHNCO-UHFFFAOYSA-N
InChI	InChI=1S/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,10,12H
SMILES	[O-][N+]1=C2C=CC=CC2=C(NO)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,10,12H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]2[C:7](=[CH:3]1)[C:8]([NH:10][OH:12])=[CH:5][CH:6]=[N+:11]2[O-:13]

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:28469 chebi:28469 XGXCMUKDRZHNCO-UHFFFAOYSA-N	4-(hydroxyamino)quinoline N-oxide 4-(hydroxyamino)quinoline 1-oxide 4-Hydroxyaminoquinoline N-oxide 4-hydroxyaminoquinoline N-oxide
kegg.compound:C04050 keggC:C04050 vmhM:4haqnlno vmhmetabolite:4haqnlno XGXCMUKDRZHNCO-UHFFFAOYSA-N	4-Hydroxyaminoquinoline N-oxide
seed.compound:cpd02505 seedM:cpd02505 XGXCMUKDRZHNCO-UHFFFAOYSA-N	4-Hydroxyaminoquinoline N-oxide 4-hydroxyaminoquinoline-N-oxide
metacyc.compound:4-HYDROXYAMINOQUINOLINE-N-OXIDE metacycM:4-HYDROXYAMINOQUINOLINE-N-OXIDE XGXCMUKDRZHNCO-UHFFFAOYSA-N	4-hydroxyaminoquinoline-N-oxide
chebi:11943 chebi:1855 chebi:20394 keggC:M_C04050 seedM:M_cpd02505 vmhM:M_4haqnlno	secondary/obsolete/fantasy identifier