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

Feedback

3,6-dichlorocatechol

	Properties	Image
MNX_ID	MNXM5500
reference	chebi:77767
formula	C₆H₃Cl₂O₂
global charge	-1
mol weight	177.994
InChIKey	OLCABUKQCUOXNU-UHFFFAOYSA-M
InChI	InChI=1S/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H/p-1
SMILES	[O-]C1=C(O)C(Cl)=CC=C1Cl

MNX internals

InChI (mnx)	InChI=1/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
SMILES (mnx)	[CH:1]1=[CH:2][C:4]([Cl:8])=[C:6]([OH:10])[C:5]([OH:9])=[C:3]1[Cl:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77767 chebi:77767 OLCABUKQCUOXNU-UHFFFAOYSA-M	3,6-dichlorocatechol 3,6-dichloro-2-hydroxyphenolate 3,6-dichlorocatechol(1-)
envipath:...23b0b3ea740a envipathM:...23b0b3ea740a kegg.compound:C07094 keggC:C07094 OLCABUKQCUOXNU-UHFFFAOYSA-N	3,6-Dichlorocatechol
seed.compound:cpd04369 seedM:cpd04369 OLCABUKQCUOXNU-UHFFFAOYSA-N	3,6-Dichlorocatechol 3,6-dichloro-1,2-benzenediol 3,6-dichloro-1,2-dihydroxybenzene 3,6-dichlorocatechol 3,6-dichloropyrocatechol
hmdb:HMDB0304104 OLCABUKQCUOXNU-UHFFFAOYSA-N	3,6-dichlorocatechol 3,6-Dichloro-1,2-benzenediol 3,6-Dichloropyrocatechol 3,6-dichlorobenzene-1,2-diol
CHEBI:28318 chebi:28318 OLCABUKQCUOXNU-UHFFFAOYSA-N	3,6-dichlorocatechol 3,6-Dichlorocatechol 3,6-dichloro-1,2-benzenediol 3,6-dichlorobenzene-1,2-diol 3,6-dichloropyrocatechol
metacyc.compound:36-DICHLOROCATECHOL metacycM:36-DICHLOROCATECHOL OLCABUKQCUOXNU-UHFFFAOYSA-N	3,6-dichlorocatechol 3,6-dichloro-1,2-benzenediol 3,6-dichloro-1,2-dihydroxybenzene 3,6-dichloropyrocatechol pyrocatechol
envipath:...2a1c2cdd240d envipathM:...2a1c2cdd240d OLCABUKQCUOXNU-UHFFFAOYSA-N	compound 0053476
chebi:1415 chebi:19916 keggC:M_C07094 seedM:M_cpd04369	secondary/obsolete/fantasy identifier