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

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nitrobenzene

	Properties	Image
MNX_ID	MNXM5853
reference	chebi:27798
formula	C₆H₅NO₂
global charge	0
mol weight	123.111
InChIKey	LQNUZADURLCDLV-UHFFFAOYSA-N
InChI	InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
SMILES	O=[N+]([O-])C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([N+:7]([O-:8])=[O:9])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27798 chebi:27798 LQNUZADURLCDLV-UHFFFAOYSA-N	nitrobenzene NITROBENZENE Nitrobenzene Nitrobenzol oil of mirbane
envipath:...3f729842f7c3 envipathM:...3f729842f7c3 LQNUZADURLCDLV-UHFFFAOYSA-N	Nitrobenzene
hmdb:HMDB0041950 LQNUZADURLCDLV-UHFFFAOYSA-N	Nitrobenzene 4-Hydroxynitrobenzene 4-Nitrophenol Essence OF mirbane Essence OF myrbane Hydroxy(phenyl)azane oxide (acd/name 4.0) Mirbane oil Niphen Nitro-benzene Nitrobenzeen Nitrobenzen Nitrobenzol Nitrobenzol, liquid(dot) Oil OF mirbane Oil OF myrbane PNP PNP, p-Nitrophenol Rcra waste number u169 nitrobenzene p-Nitrophenol
sabiork.compound:8939 sabiorkM:8939 kegg.compound:C06813 keggC:C06813 LQNUZADURLCDLV-UHFFFAOYSA-N	Nitrobenzene Nitrobenzol
seed.compound:cpd04184 seedM:cpd04184 LQNUZADURLCDLV-UHFFFAOYSA-N	Nitrobenzol Nitrobenzene benzene-NO2 nitro-benzene nitrobenzene
envipath:...6b0e06447bff envipathM:...6b0e06447bff LQNUZADURLCDLV-UHFFFAOYSA-N	compound 0051370
CHEBI:193044 chebi:193044 LQNUZADURLCDLV-UHFFFAOYSA-N	nitrobenzene-d5 1,2,3,4,5-pentadeuterio-6-nitrobenzene
metacyc.compound:BENZENE-NO2 metacycM:BENZENE-NO2 LQNUZADURLCDLV-UHFFFAOYSA-N	nitrobenzene benzene-NO2 nitro-benzene
hmdb:HMDB41950 chebi:116696 chebi:25551 chebi:44199 chebi:7588 keggC:M_C06813 seedM:M_cpd04184	secondary/obsolete/fantasy identifier