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

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5-chloro-3-methylcatechol

	Properties	Image
MNX_ID	MNXM8164
reference	chebi:28288
formula	C₇H₇ClO₂
global charge	0
mol weight	158.584
InChIKey	DEMKYMVOIBWYAM-UHFFFAOYSA-N
InChI	InChI=1S/C7H7ClO2/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9-10H,1H3
SMILES	CC1=CC(Cl)=CC(O)=C1O

MNX internals

InChI (mnx)	InChI=1/C7H7ClO2/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9-10H,1H3
SMILES (mnx)	[CH3:1][C:4]1=[CH:2][C:5]([Cl:8])=[CH:3][C:6]([OH:9])=[C:7]1[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28288 chebi:28288 DEMKYMVOIBWYAM-UHFFFAOYSA-N	5-chloro-3-methylcatechol 5-Chloro-3-methylcatechol 5-chloro-3-methyl-1,2-benzenediol 5-chloro-3-methylbenzene-1,2-diol
kegg.compound:C03591 keggC:C03591 DEMKYMVOIBWYAM-UHFFFAOYSA-N	5-Chloro-3-methylcatechol
seed.compound:cpd02260 seedM:cpd02260 DEMKYMVOIBWYAM-UHFFFAOYSA-N	5-Chloro-3-methylcatechol 3-methyl-5-chlorocatechol 5-chloro-3-methylcatechol
metacyc.compound:CPD-10616 metacycM:CPD-10616 DEMKYMVOIBWYAM-UHFFFAOYSA-N	5-chloro-3-methylcatechol 3-methyl-5-chlorocatechol
envipath:...20b442e4d249 envipathM:...20b442e4d249 DEMKYMVOIBWYAM-UHFFFAOYSA-N	compound 0048309
chebi:2044 chebi:20559 keggC:M_C03591 seedM:M_cpd02260	secondary/obsolete/fantasy identifier