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

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anisole

	Properties	Image
MNX_ID	MNXM4470
reference	chebi:16579
formula	C₇H₈O
global charge	0
mol weight	108.14
InChIKey	RDOXTESZEPMUJZ-UHFFFAOYSA-N
InChI	InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
SMILES	COC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
SMILES (mnx)	[CH3:1][O:8][C:7]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16579 chebi:16579 RDOXTESZEPMUJZ-UHFFFAOYSA-N	anisole Anisol Anisole Methoxybenzene Methyl phenyl ether Phenol methyl ether
hmdb:HMDB0033895 RDOXTESZEPMUJZ-UHFFFAOYSA-N	Anisole Anisol Anisole, 8ci Anizol HSDB 44 Methoxy-benzene Methoxy-benzene (anisol) Methoxybenzene Methyl phenyl ether Methyl phenyl-ether Phenol methyl ether Phenoxymethane Phenyl methyl ether anisole
sabiork.compound:5560 sabiorkM:5560 kegg.compound:C01403 keggC:C01403 RDOXTESZEPMUJZ-UHFFFAOYSA-N	Anisole Methoxybenzene Methyl phenyl ether Phenol methyl ether
seed.compound:cpd01004 seedM:cpd01004 RDOXTESZEPMUJZ-UHFFFAOYSA-N	Anisole Methoxybenzene Methyl phenyl ether Phenol methyl ether anisole methoxybenzene methyl phenyl ether phenol methyl ether
metacyc.compound:CPD-395 metacycM:CPD-395 RDOXTESZEPMUJZ-UHFFFAOYSA-N	anisole methoxybenzene methyl phenyl ether phenol methyl ether
envipath:...04b7bad55179 envipathM:...04b7bad55179 RDOXTESZEPMUJZ-UHFFFAOYSA-N	compound 0039026
hmdb:HMDB33895 chebi:13835 chebi:22564 chebi:2736 keggC:M_C01403 seedM:M_cpd01004	secondary/obsolete/fantasy identifier