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

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benzene-1,2,4-triol

	Properties	Image
MNX_ID	MNXM722
reference	chebi:16971
formula	C₆H₆O₃
global charge	0
mol weight	126.111
InChIKey	GGNQRNBDZQJCCN-UHFFFAOYSA-N
InChI	InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
SMILES	OC1=CC=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([OH:8])=[C:6]([OH:9])[CH:3]=[C:4]1[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	22
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16971 chebi:16971 GGNQRNBDZQJCCN-UHFFFAOYSA-N	benzene-1,2,4-triol 1,2,4-Benzenetriol 1,2,4-Trihydroxybenzene 1,2,4-benzenetriol Benzene-1,2,4-triol Hydroxyhydroquinone Hydroxyquinol
envipath:...4fcbf4f29db8 envipathM:...4fcbf4f29db8 GGNQRNBDZQJCCN-UHFFFAOYSA-N	1,2,4-Benzenetriol
sabiork.compound:6360 sabiorkM:6360 kegg.compound:C02814 keggC:C02814 GGNQRNBDZQJCCN-UHFFFAOYSA-N	Benzene-1,2,4-triol 1,2,4-Benzenetriol 1,2,4-Trihydroxybenzene Hydroxyhydroquinone Hydroxyquinol
seed.compound:cpd01822 seedM:cpd01822 GGNQRNBDZQJCCN-UHFFFAOYSA-N	Hydroxyquinol 1,2,4-Benzenetriol 1,2,4-Trihydroxybenzene 1,2,4-benzenetriol 1,2,4-trihydroxybenzene 4-hydroxycatechol Benzene-1,2,4-triol Hydroxyhydroquinone benzene-1,2,4-triol hydroxyhydroquinone hydroxyquinol
envipath:...9cfd3a027de4 envipathM:...9cfd3a027de4 GGNQRNBDZQJCCN-UHFFFAOYSA-N	compound 0000138
envipath:...2ae0767c1268 envipathM:...2ae0767c1268 GGNQRNBDZQJCCN-UHFFFAOYSA-N	compound 0037918
metacyc.compound:CPD-8130 metacycM:CPD-8130 GGNQRNBDZQJCCN-UHFFFAOYSA-N	hydroxyquinol 1,2,4-trihydroxybenzene 4-hydroxycatechol benzene-1,2,4-triol hydroxyhydroquinone
chebi:11136 chebi:13877 chebi:22709 chebi:3026 keggC:M_C02814 seedM:M_cpd01822	secondary/obsolete/fantasy identifier