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

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(4-chloro-2-methylphenoxy)acetic acid

	Properties	Image
MNX_ID	MNXM13571
reference	chebi:50099
formula	C₉H₉ClO₃
global charge	0
mol weight	200.621
InChIKey	WHKUVVPPKQRRBV-UHFFFAOYSA-N
InChI	InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
SMILES	CC1=CC(Cl)=CC=C1OCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
SMILES (mnx)	[CH3:1][C:6]1=[C:8]([O:13][CH2:5][C:9](=[O:11])[OH:12])[CH:3]=[CH:2][C:7]([Cl:10])=[CH:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50099 chebi:50099 WHKUVVPPKQRRBV-UHFFFAOYSA-N	(4-chloro-2-methylphenoxy)acetic acid ((4-chloro-o-tolyl)oxy)acetic acid (2-Methyl-4-chlorophenoxy)acetic acid 2,4-MCPA 2-Methyl-4-chlorophenoxyacetic acid 2-Methyl-4-chlorphenoxyessigsaeure Agroxone MCP MCPA [(4-Chloro-o-tolyl)oxy]acetic acid
hmdb:HMDB0254366 WHKUVVPPKQRRBV-UHFFFAOYSA-N	(4-Chloro-2-methylphenoxy)acetic acid ((4-Chloro-O-tolyl)oxy)acetate ((4-Chloro-O-tolyl)oxy)acetic acid (2-Methyl-4-chlorophenoxy)acetate (2-Methyl-4-chlorophenoxy)acetic acid 2 Methyl 4 chlorophenoxyacetic acid 2,4-MCPA 2-(4-chloro-2-methylphenoxy)acetic acid 2-Methyl-4-chlorophenoxyacetate 2-Methyl-4-chlorphenoxyessigsaeure Agroxone MCP MCPA Methoxone [(4-Chloro-O-tolyl)oxy]acetate [(4-Chloro-O-tolyl)oxy]acetic acid zelan
CHEBI:231609 chebi:231609 WHKUVVPPKQRRBV-UHFFFAOYSA-M	(4-chloro-2-methylphenoxy)acetate
metacyc.compound:CPD-10614 metacycM:CPD-10614 WHKUVVPPKQRRBV-UHFFFAOYSA-M	4-chloro-2-methylphenoxyacetate MCPA
kegg.compound:C18528 keggC:C18528 WHKUVVPPKQRRBV-UHFFFAOYSA-N	MCPA (2-Methyl-4-chlorophenoxy)acetic acid
seed.compound:cpd19792 seedM:cpd19792 WHKUVVPPKQRRBV-UHFFFAOYSA-M	MCPA (2-Methyl-4-chlorophenoxy)acetic acid 4-chloro-2-methylphenoxyacetate
keggC:M_C18528 seedM:M_cpd19792	secondary/obsolete/fantasy identifier