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

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o-xylene

	Properties	Image
MNX_ID	MNXM6363
reference	chebi:28063
formula	C₈H₁₀
global charge	0
mol weight	106.168
InChIKey	CTQNGGLPUBDAKN-UHFFFAOYSA-N
InChI	InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
SMILES	CC1=C(C)C=CC=C1

MNX internals

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

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:28063 chebi:28063 CTQNGGLPUBDAKN-UHFFFAOYSA-N	o-xylene 1,2-Dimethylbenzol 1,2-dimethylbenzene 1,2-xylene 2-xylene 3,4-xylene ORTHO-XYLENE o-Dimethylbenzene o-Methyltoluene o-Xylene o-Xylol ortho-xylene
envipath:...a6f3dc788d3e envipathM:...a6f3dc788d3e CTQNGGLPUBDAKN-UHFFFAOYSA-N	o-Xylene
hmdb:HMDB0059851 CTQNGGLPUBDAKN-UHFFFAOYSA-N	o-Xylene 1,2-Dimethylbenzene 1,2-Dimethylbenzol 1,2-Xylene 1,2-xylene 2-Xylene 3,4-Xylene O-Dimethylbenzene O-Methyltoluene O-Xylol ORTHO-xylene ortho-xylene
seed.compound:cpd04450 seedM:cpd04450 CTQNGGLPUBDAKN-UHFFFAOYSA-N	o-Xylene 1,2-dimethylbenzene o-Dimethylbenzene o-Methyltoluene o-xylene ortho-xylene
kegg.compound:C07212 keggC:C07212 CTQNGGLPUBDAKN-UHFFFAOYSA-N	o-Xylene o-Dimethylbenzene o-Methyltoluene
metacyc.compound:CPD-1421 metacycM:CPD-1421 CTQNGGLPUBDAKN-UHFFFAOYSA-N	o-xylene 1,2-dimethylbenzene ortho-xylene
envipath:...868faccb8175 envipathM:...868faccb8175 CTQNGGLPUBDAKN-UHFFFAOYSA-N	xylene
hmdb:HMDB59851 chebi:10611 chebi:25623 chebi:44697 keggC:M_C07212 seedM:M_cpd04450	secondary/obsolete/fantasy identifier