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

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4-methyl-5-nitrocatechol

	Properties	Image
MNX_ID	MNXM6897
reference	chebi:81666
formula	C₇H₇NO₄
global charge	0
mol weight	169.136
InChIKey	WLLRAKCRHPMKNA-UHFFFAOYSA-N
InChI	InChI=1S/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3
SMILES	CC1=C([N+](=O)[O-])C=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3
SMILES (mnx)	[CH3:1][C:4]1=[CH:2][C:6]([OH:9])=[C:7]([OH:10])[CH:3]=[C:5]1[N+:8]([O-:11])=[O:12]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:81666 chebi:81666 WLLRAKCRHPMKNA-UHFFFAOYSA-N	4-methyl-5-nitrocatechol 4-methyl-5-nitrobenzene-1,2-diol 4M5NC
envipath:...cd9b5de24cbb envipathM:...cd9b5de24cbb kegg.compound:C18315 keggC:C18315 WLLRAKCRHPMKNA-UHFFFAOYSA-N	4-Methyl-5-nitrocatechol
seed.compound:cpd19581 seedM:cpd19581 WLLRAKCRHPMKNA-UHFFFAOYSA-N	4-Methyl-5-nitrocatechol 4-methyl-5-nitrocatechol 4M5NC
metacyc.compound:CPD-9134 metacycM:CPD-9134 WLLRAKCRHPMKNA-UHFFFAOYSA-N	4-methyl-5-nitrocatechol 4M5NC
envipath:...3ce228940d2d envipathM:...3ce228940d2d WLLRAKCRHPMKNA-UHFFFAOYSA-N	compound 0044167
keggC:M_C18315 seedM:M_cpd19581	secondary/obsolete/fantasy identifier