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

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(1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol

	Properties	Image
MNX_ID	MNXM5357
reference	chebi:19981
formula	C₆H₇ClO₂
global charge	0
mol weight	146.573
InChIKey	CEKJBAXHIQWXBY-RITPCOANSA-N
InChI	InChI=1S/C6H7ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m1/s1
SMILES	O[C@@H]1C=CC=C(Cl)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C6H7ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m1/s1
SMILES (mnx)	[CH:1]1=[CH:3][C@@H:5]([OH:8])[C@@H:6]([OH:9])[C:4]([Cl:7])=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19981 chebi:19981 CEKJBAXHIQWXBY-RITPCOANSA-N	(1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol 3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene
metacyc.compound:CPD-10609 metacycM:CPD-10609 CEKJBAXHIQWXBY-RITPCOANSA-N	(1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol 3-chloro-cis-1,2-dihydroxycyclohexa-3,5-diene 3-chlorobenzene dihydrodiol chlorobenzene dihydrodiol
envipath:...33a052bcf7f1 envipathM:...33a052bcf7f1 vmhM:3cldhchdn vmhmetabolite:3cldhchdn CEKJBAXHIQWXBY-RITPCOANSA-N	3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene
kegg.compound:C12837 keggC:C12837 CEKJBAXHIQWXBY-RITPCOANSA-N	3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene (1R,2R)-3-Chlorocyclohexa-3,5-diene-1,2-diol
seed.compound:cpd09316 seedM:cpd09316 CEKJBAXHIQWXBY-RITPCOANSA-N	3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene (1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol 3-chloro-cis-1,2-dihydroxycyclohexa-3,5-diene 3-chlorobenzene dihydrodiol chlorobenzene dihydrodiol
keggC:M_C12837 seedM:M_cpd09316 vmhM:M_3cldhchdn	secondary/obsolete/fantasy identifier