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

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3,5-dichlorocatechol

	Properties	Image
MNX_ID	MNXM2780
reference	chebi:15788
formula	C₆H₄Cl₂O₂
global charge	0
mol weight	179.002
InChIKey	XSXYVLIPQMXCBV-UHFFFAOYSA-N
InChI	InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
SMILES	OC1=C(O)C(Cl)=CC(Cl)=C1

MNX internals

InChI (mnx)	InChI=1/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
SMILES (mnx)	[CH:1]1=[C:3]([Cl:7])[CH:2]=[C:5]([OH:9])[C:6]([OH:10])=[C:4]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:15788 chebi:15788 XSXYVLIPQMXCBV-UHFFFAOYSA-N	3,5-dichlorocatechol 1,2-dihydroxy-4,6-dichlorobenzene 3,5-Dichlorocatechol 3,5-dichlorobenzene-1,2-diol
envipath:...4a247b2cbd76 envipathM:...4a247b2cbd76 kegg.compound:C02933 keggC:C02933 vmhM:35dchlctcl vmhmetabolite:35dchlctcl XSXYVLIPQMXCBV-UHFFFAOYSA-N	3,5-Dichlorocatechol
seed.compound:cpd01878 seedM:cpd01878 XSXYVLIPQMXCBV-UHFFFAOYSA-N	3,5-Dichlorocatechol 3,5-dichloro-1,2-benzenediol 3,5-dichloro-1,2-dihydroxybenzene 3,5-dichlorocatechol 3,5-dichloropyrocatechol
metacyc.compound:35-DICHLOROCATECHOL metacycM:35-DICHLOROCATECHOL XSXYVLIPQMXCBV-UHFFFAOYSA-N	3,5-dichlorocatechol 3,5-dichloro-1,2-benzenediol 3,5-dichloro-1,2-dihydroxybenzene 3,5-dichloropyrocatechol pyrocatechol
envipath:...d2978e64e198 envipathM:...d2978e64e198 XSXYVLIPQMXCBV-UHFFFAOYSA-N	compound 0039870
chebi:11707 chebi:1401 chebi:19905 keggC:M_C02933 seedM:M_cpd01878 vmhM:M_35dchlctcl	secondary/obsolete/fantasy identifier