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

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4-nitrobenzyl alcohol

	Properties	Image
MNX_ID	MNXM8153
reference	chebi:41214
formula	C₇H₇NO₃
global charge	0
mol weight	153.137
InChIKey	JKTYGPATCNUWKN-UHFFFAOYSA-N
InChI	InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
SMILES	O=[N+]([O-])C1=CC=C(CO)C=C1

MNX internals

InChI (mnx)	InChI=1/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([N+:8]([O-:10])=[O:11])=[CH:4][CH:2]=[C:6]1[CH2:5][OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:41214 chebi:41214 JKTYGPATCNUWKN-UHFFFAOYSA-N	4-nitrobenzyl alcohol (4-nitrophenyl)methanol 4-Nitrobenzenemethanol PARANITROBENZYL ALCOHOL p-(hydroxymethyl)nitrobenzene p-nitrobenzyl alcohol
hmdb:HMDB0246534 JKTYGPATCNUWKN-UHFFFAOYSA-N	4-Nitrobenzyl alcohol (4-nitrophenyl)methanol 4-Nitrobenzenemethanol 4-nitrobenzyl alcohol PARANITROBENZYL alcohol p-(Hydroxymethyl)nitrobenzene p-Nitrobenzyl alcohol
metacyc.compound:CPD-702 metacycM:CPD-702 seed.compound:cpd24690 seedM:cpd24690 JKTYGPATCNUWKN-UHFFFAOYSA-N	4-nitrobenzyl alcohol 4NBA
sabiork.compound:20775 sabiorkM:20775 JKTYGPATCNUWKN-UHFFFAOYSA-N	p-Nitrobenzyl alcohol 4-Nitrobenzyl alcohol
seedM:M_cpd24690	secondary/obsolete/fantasy identifier