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

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3,5-dimethoxytoluene

	Properties	Image
MNX_ID	MNXM14486
reference	chebi:141217
formula	C₉H₁₂O₂
global charge	0
mol weight	152.193
InChIKey	RIZBLVRXRWHLFA-UHFFFAOYSA-N
InChI	InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
SMILES	COC1=CC(C)=CC(OC)=C1

MNX internals

InChI (mnx)	InChI=1/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:4][C:8]([O:10][CH3:2])=[CH:6][C:9]([O:11][CH3:3])=[CH:5]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:141217 chebi:141217 RIZBLVRXRWHLFA-UHFFFAOYSA-N	3,5-dimethoxytoluene 1,3-dimethoxy-5-methylbenzene 1,5-dimethoxy-3-methylbenzene 5-methylresorcinol dimethyl ether DMT orcinol dimethyl ether
seed.compound:cpd37288 seedM:cpd37288 RIZBLVRXRWHLFA-UHFFFAOYSA-N	1,3-dimethoxy-5-methylbenzene 3,5-dimethoxy toluene 3,5-dimethoxytoluene 5-methylresorcinol dimethyl ether orcinol dimethyl ether
hmdb:HMDB0059853 RIZBLVRXRWHLFA-UHFFFAOYSA-N	3,5-Dimethoxytoluene 1,3-dimethoxy-5-methylbenzene 1,5-Dimethoxy-3-methylbenzene 5-Methylresorcinol dimethyl ether DMT Orcinol dimethyl ether
metacyc.compound:CPD-9502 metacycM:CPD-9502 RIZBLVRXRWHLFA-UHFFFAOYSA-N	3,5-dimethoxytoluene 1,3-dimethoxy-5-methylbenzene 3,5-dimethoxy toluene 5-methylresorcinol dimethyl ether DMT orcinol dimethyl ether
hmdb:HMDB59853 seedM:M_cpd37288	secondary/obsolete/fantasy identifier