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

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3,6-dichloro-cis-cyclohexa-3,5-diene-1,2-diol

	Properties	Image
MNX_ID	MNXM36140
reference	chebi:28957
formula	C₆H₆Cl₂O₂
global charge	0
mol weight	181.018
InChIKey	NPONHQROCKGAME-OLQVQODUSA-N
InChI	InChI=1S/C6H6Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H/t5-,6+
SMILES	O[C@@H]1C(Cl)=CC=C(Cl)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C6H6Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H/t5-,6+
SMILES (mnx)	[CH:1]1=[C:3]([Cl:7])[C@H:5]([OH:9])[C@H:6]([OH:10])[C:4]([Cl:8])=[CH:2]1

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:28957 chebi:28957 NPONHQROCKGAME-OLQVQODUSA-N	3,6-dichloro-cis-cyclohexa-3,5-diene-1,2-diol (1R,2S)-3,6-dichlorocyclohexa-3,5-diene-1,2-diol 3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene rel-(1R,2S)-3,6-dichlorocyclohexa-3,5-diene-1,2-diol
metacyc.compound:14-DICHLOROBENZENE-DIHYDRODIOL metacycM:14-DICHLOROBENZENE-DIHYDRODIOL NPONHQROCKGAME-OLQVQODUSA-N	(1R,2S)-3,6-dichlorocyclohexa-3,5-diene-1,2-diol 1,4-dichlorobenzene dihydrodiol 3,6-dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene p-dichlorobenzene dihydrodiol
hmdb:HMDB0304009 NPONHQROCKGAME-UHFFFAOYSA-N	1,4-dichlorobenzene dihydrodiol 1,4-Dichlorobenzene dihydrodiol 3,6-dichlorocyclohexa-3,5-diene-1,2-diol P-Dichlorobenzene dihydrodiol
envipath:...fefb072aaab7 envipathM:...fefb072aaab7 kegg.compound:C07093 keggC:C07093 vmhM:dcldhcd vmhmetabolite:dcldhcd NPONHQROCKGAME-OLQVQODUSA-N NPONHQROCKGAME-UHFFFAOYSA-N	3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene
seed.compound:cpd04368 seedM:cpd04368 NPONHQROCKGAME-OLQVQODUSA-N	3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene (1R,2S)-3,6-dichlorocyclohexa-3,5-diene-1,2-diol 1,4-dichlorobenzene dihydrodiol 3,6-dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene p-dichlorobenzene dihydrodiol
chebi:1414 chebi:19915 keggC:M_C07093 seedM:M_cpd04368 vmhM:M_dcldhcd	secondary/obsolete/fantasy identifier