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

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m-xylene

	Properties	Image
MNX_ID	MNXM3300
reference	chebi:28488
formula	C₈H₁₀
global charge	0
mol weight	106.168
InChIKey	IVSZLXZYQVIEFR-UHFFFAOYSA-N
InChI	InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
SMILES	CC1=CC=CC(C)=C1

MNX internals

InChI (mnx)	InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:6][C:8]([CH3:2])=[CH:5][CH:3]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28488 chebi:28488 IVSZLXZYQVIEFR-UHFFFAOYSA-N	m-xylene 1,3-Dimethylbenzene 1,3-Dimethylbenzol 1,3-Xylene 1,3-xylene 3-xylene m-Xylene m-Xylol m-dimethylbenzene m-methyltoluene meta-xylene
metacyc.compound:META-XYLENE metacycM:META-XYLENE IVSZLXZYQVIEFR-UHFFFAOYSA-N	1,3-dimethylbenzene m-xylene meta-xylene xylol
bigg.metabolite:m_xyl biggM:m_xyl	M-Xylene
envipath:...b53732aecdf7 envipathM:...b53732aecdf7 envipath:...ae92547eba98 envipathM:...ae92547eba98 envipath:...abb066298c09 envipathM:...abb066298c09 envipath:...91ffc62fa7dc envipathM:...91ffc62fa7dc IVSZLXZYQVIEFR-UHFFFAOYSA-N	compound 0039068
envipath:...afb5b9b37973 envipathM:...afb5b9b37973 IVSZLXZYQVIEFR-UHFFFAOYSA-N	m-Xylene
hmdb:HMDB0059810 IVSZLXZYQVIEFR-UHFFFAOYSA-N	m-Xylene 1,3-Dimethylbenzene 1,3-Dimethylbenzol 1,3-Xylene 1,3-xylene 3-Xylene M-xylene Meta-xylene m-Dimethylbenzene m-Methyltoluene m-Xylol
kegg.compound:C07208 keggC:C07208 IVSZLXZYQVIEFR-UHFFFAOYSA-N	m-Xylene 1,3-Dimethylbenzene 1,3-Xylene
seed.compound:cpd04446 seedM:cpd04446 IVSZLXZYQVIEFR-UHFFFAOYSA-N	m-Xylene 1,3-Dimethylbenzene 1,3-Xylene 1,3-dimethylbenzene m-xyl m-xylene meta-xylene xylol
hmdb:HMDB59810 chebi:10590 chebi:25100 biggM:M_m_xyl keggC:M_C07208 seedM:M_cpd04446	secondary/obsolete/fantasy identifier