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

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2-methyl-4-chlorophenol

	Properties	Image
MNX_ID	MNXM10180
reference	chebi:1800
formula	C₇H₇ClO
global charge	0
mol weight	142.585
InChIKey	RHPUJHQBPORFGV-UHFFFAOYSA-N
InChI	InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
SMILES	CC1=CC(Cl)=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
SMILES (mnx)	[CH3:1][C:5]1=[C:7]([OH:9])[CH:3]=[CH:2][C:6]([Cl:8])=[CH:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1800 chebi:1800 RHPUJHQBPORFGV-UHFFFAOYSA-N	2-methyl-4-chlorophenol 4-Chloro-2-cresol 4-Chloro-2-methylphenol 4-Chloro-o-cresol 4-chloro-2-methylphenol p-Chloro-o-cresol
metacyc.compound:CPD-10615 metacycM:CPD-10615 RHPUJHQBPORFGV-UHFFFAOYSA-N	2-methyl-4-chlorophenol 4-chloro-2-methylphenol
kegg.compound:C03359 keggC:C03359 RHPUJHQBPORFGV-UHFFFAOYSA-N	4-Chloro-2-methylphenol
hmdb:HMDB0246384 RHPUJHQBPORFGV-UHFFFAOYSA-N	4-Chloro-2-methylphenol 2,4-MCP 2-Methyl-4-chlorophenol 4-Chloro-2-cresol 4-Chloro-O-cresol 4-chloro-2-Cresol, potassium salt 4-chloro-2-Cresol, sodium salt 4-chloro-2-methylphenol p-Chloro-O-cresol
seed.compound:cpd02134 seedM:cpd02134 RHPUJHQBPORFGV-UHFFFAOYSA-N	4-Chloro-2-methylphenol 2-methyl-4-chlorophenol 4-chloro-2-methylphenol
envipath:...a024d1557a2e envipathM:...a024d1557a2e RHPUJHQBPORFGV-UHFFFAOYSA-N	compound 0051662
keggC:M_C03359 seedM:M_cpd02134	secondary/obsolete/fantasy identifier