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

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catechol

	Properties	Image
MNX_ID	MNXM731896
reference	chebi:18135
formula	C₆H₆O₂
global charge	0
mol weight	110.112
InChIKey	YCIMNLLNPGFGHC-UHFFFAOYSA-N
InChI	InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
SMILES	OC1=CC=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([OH:8])[C:5]([OH:7])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	70
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18135 chebi:18135 YCIMNLLNPGFGHC-UHFFFAOYSA-N	catechol 1,2-Benzenediol 1,2-Dihydroxybenzene 2-hydroxyphenol Brenzcatechin Catechol Pyrocatechol alpha-hydroxyphenol benzene-1,2-diol o-Benzenediol o-hydroxyphenol pyrocatechin
seed.compound:cpd01232 seedM:cpd01232 kegg.compound:C01785 keggC:C01785 YCIMNLLNPGFGHC-UHFFFAOYSA-N	Benzenediol
bigg.metabolite:catechol biggM:catechol envipath:...509a386340db envipathM:...509a386340db kegg.compound:C15571 keggC:C15571 YCIMNLLNPGFGHC-UHFFFAOYSA-N	Catechol
seed.compound:cpd00077 seedM:cpd00077 YCIMNLLNPGFGHC-UHFFFAOYSA-N	Catechol 1,2-Benzenediol 1,2-Dihydroxybenzene 1,2-benzenediol 1,2-dihydroxybenzene 2-hydroxyphenol Benzenediol Brenzcatechin C15571 Pyrocatechol catechol o-Benzenediol pyrocatechin
sabiork.compound:5002 sabiorkM:5002 kegg.compound:C00090 keggC:C00090 YCIMNLLNPGFGHC-UHFFFAOYSA-N	Catechol 1,2-Benzenediol 1,2-Dihydroxybenzene Brenzcatechin Pyrocatechol o-Benzenediol
vmhM:catechol vmhmetabolite:catechol YCIMNLLNPGFGHC-UHFFFAOYSA-M	Catechol benzene-1,2-diol
envipath:...5e02d735106f envipathM:...5e02d735106f envipath:...bc10ae7c19cb envipathM:...bc10ae7c19cb YCIMNLLNPGFGHC-UHFFFAOYSA-N	Hydroxyphenols
hmdb:HMDB0000957 YCIMNLLNPGFGHC-UHFFFAOYSA-N	Pyrocatechol 1,2-Benzenediol 1,2-Dihydroxybenzene 1,2-Hydroxybenzene 1,3-Dihydroxybenzene 2-Hydroxyphenol Benzene-1,2-diol Brenzcatechin Catechol Catechol dipotassium salt Catechol sodium salt Catechol, 14C-labeled CPD Durafur developer C Fouramine PCH Fourrine 68 O-Benzenediol O-Dihydroxybenzene O-Dioxybenzene O-Hydroquinone O-Hydroxyphenol O-Phenylenediol Oxyphenate Oxyphenic acid Pelagol grey C Phthalhydroquinone Phthalic alcohol Pyrocatechin Pyrocatechine a-Hydroxyphenol alpha-Hydroxyphenol alpha-hydroxyphenol benzene-1,2-diol catechol
CHEBI:50524 chebi:50524 YCIMNLLNPGFGHC-UHFFFAOYSA-M	catecholate(1-) 2-hydroxyphenolate pyrocatechol monoanion
CHEBI:32402 chebi:32402 YCIMNLLNPGFGHC-UHFFFAOYSA-L	catecholate(2-) benzene-1,2-diolate cat catecholate
metacyc.compound:CATECHOL metacycM:CATECHOL YCIMNLLNPGFGHC-UHFFFAOYSA-N	catechol 1,2-benzenediol 1,2-dihydroxybenzene 2-hydroxyphenol benzene-1,2-diolate catecholate pyrocatechin pyrocatechol
envipath:...60bffb10ca56 envipathM:...60bffb10ca56 YCIMNLLNPGFGHC-UHFFFAOYSA-N	compound 0037915
hmdb:HMDB00957 chebi:135158 chebi:13950 chebi:23054 chebi:3467 chebi:41441 biggM:M_catechol keggC:M_C00090 keggC:M_C01785 keggC:M_C15571 seedM:M_cpd00077 seedM:M_cpd01232 vmhM:M_catechol	secondary/obsolete/fantasy identifier