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CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_28063
http://purl.obolibrary.org/obo/CHEBI_28063
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28063
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Preferred name
o-xylene
Synonyms
1,2-xylene
o-Xylene
1,2-Dimethylbenzol
1,2-dimethylbenzene
2-xylene
3,4-xylene
ORTHO-XYLENE
o-Dimethylbenzene
o-Methyltoluene
o-Xylol
ortho-xylene
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Definitions
A xylene substituted by methyl groups at positions 1 and 2.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_27338
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rdfs:label
o-xylene
obo_purl:charge
0
obo_purl:formula
C8H10
obo_purl:inchi
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
obo_purl:inchikey
CTQNGGLPUBDAKN-UHFFFAOYSA-N
obo_purl:mass
106.16500
obo_purl:monoisotopicmass
106.07825
obo_purl:smiles
Cc1ccccc1C
obo_purl:IAO_0000115
A xylene substituted by methyl groups at positions 1 and 2.
oboinowl_gen:hasExactSynonym
1,2-xylene
o-Xylene
oboinowl_gen:hasRelatedSynonym
1,2-Dimethylbenzol
1,2-dimethylbenzene
2-xylene
3,4-xylene
ORTHO-XYLENE
o-Dimethylbenzene
o-Methyltoluene
o-Xylol
ortho-xylene
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oboinowl_gen:hasDbXref
PMID:24421258
Beilstein:1815558
CAS:95-47-6
Chemspider:6967
DrugBank:DB03029
FooDB:FDB005819
Gmelin:67796
HMDB:HMDB0059851
KEGG:C07212
KNApSAcK:C00056020
MetaCyc:CPD-1421
PDBeChem:OXE
PMID:10598955
PMID:11357330
PMID:18656653
PMID:19167006
PMID:22960059
PMID:24246944
PMID:28621498
PMID:31911380
PMID:33465657
PMID:7399721
PMID:7691530
Reaxys:1815558
UM-BBD_compID:c0248
Wikipedia:O-Xylene
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oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:28063
skos:notation
CHEBI:28063
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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oboinowl_gen:hasAlternativeId
CHEBI:10611
CHEBI:25623
CHEBI:44697
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