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

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3-fluorocatechol

	Properties	Image
MNX_ID	MNXM4986
reference	chebi:39876
formula	C₆H₅FO₂
global charge	0
mol weight	128.102
InChIKey	DXOSJQLIRGXWCF-UHFFFAOYSA-N
InChI	InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
SMILES	OC1=CC=CC(F)=C1O

MNX internals

InChI (mnx)	InChI=1/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
SMILES (mnx)	[CH:1]1=[CH:2][C:4]([F:7])=[C:6]([OH:9])[C:5]([OH:8])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:39876 chebi:39876 DXOSJQLIRGXWCF-UHFFFAOYSA-N	3-fluorocatechol 1,2-dihydroxy-3-fluorobenzene 3-fluoro-1,2-benzenediol 3-fluoro-1,2-dihydroxybenzene 3-fluorobenzene-1,2-diol
envipath:...b10375fc3fa6 envipathM:...b10375fc3fa6 kegg.compound:C16472 keggC:C16472 vmhM:3fctcl vmhmetabolite:3fctcl DXOSJQLIRGXWCF-UHFFFAOYSA-N	3-Fluorocatechol
seed.compound:cpd15176 seedM:cpd15176 DXOSJQLIRGXWCF-UHFFFAOYSA-N	3-Fluorocatechol 3-fluorocatechol
metacyc.compound:CPD-10613 metacycM:CPD-10613 DXOSJQLIRGXWCF-UHFFFAOYSA-N	3-fluorocatechol
envipath:...1ce47e39a180 envipathM:...1ce47e39a180 envipath:...4a4ad8349aeb envipathM:...4a4ad8349aeb DXOSJQLIRGXWCF-UHFFFAOYSA-N	compound 0062835
keggC:M_C16472 seedM:M_cpd15176 vmhM:M_3fctcl	secondary/obsolete/fantasy identifier