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

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3,4,6-trichlorocatechol

	Properties	Image
MNX_ID	MNXM4980
reference	chebi:134391
formula	C₆H₂Cl₃O₂
global charge	-1
mol weight	212.439
InChIKey	LZHZRJKVYOHNTJ-UHFFFAOYSA-M
InChI	InChI=1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H/p-1
SMILES	[O-]C1=C(O)C(Cl)=CC(Cl)=C1Cl

MNX internals

InChI (mnx)	InChI=1/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H
SMILES (mnx)	[CH:1]1=[C:2]([Cl:7])[C:4]([Cl:9])=[C:6]([OH:11])[C:5]([OH:10])=[C:3]1[Cl:8]

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:134391 chebi:134391 LZHZRJKVYOHNTJ-UHFFFAOYSA-M	3,4,6-trichlorocatechol 2,3,5-trichloro-6-hydroxyphenolate 3,4,6-trichlorocatechol(1-)
envipath:...5e3adedc0f3d envipathM:...5e3adedc0f3d kegg.compound:C12831 keggC:C12831 vmhM:tclctcl vmhmetabolite:tclctcl LZHZRJKVYOHNTJ-UHFFFAOYSA-N	3,4,6-Trichlorocatechol
seed.compound:cpd09310 seedM:cpd09310 LZHZRJKVYOHNTJ-UHFFFAOYSA-N	3,4,6-Trichlorocatechol 3,4,6-trichloro-1,2-benzenediol 3,4,6-trichlorocatechol 3,4,6-trichloropyrocatechol
CHEBI:32971 chebi:32971 LZHZRJKVYOHNTJ-UHFFFAOYSA-N	3,4,6-trichlorocatechol 3,4,6-Trichlorocatechol 3,4,6-trichloro-1,2-benzenediol 3,4,6-trichlorobenzene-1,2-diol 3,4,6-trichloropyrocatechol
metacyc.compound:CPD-10622 metacycM:CPD-10622 LZHZRJKVYOHNTJ-UHFFFAOYSA-M	3,4,6-trichlorocatechol 3,4,6-trichloro-1,2-benzenediol 3,4,6-trichloropyrocatechol
envipath:...50191e984946 envipathM:...50191e984946 LZHZRJKVYOHNTJ-UHFFFAOYSA-N	compound 0053467
chebi:19870 chebi:31090 keggC:M_C12831 seedM:M_cpd09310 vmhM:M_tclctcl	secondary/obsolete/fantasy identifier