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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_28054
http://purl.obolibrary.org/obo/CHEBI_28054
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28054
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Preferred name
o-cresol
Synonyms
2-methylphenol
o-Cresol
1-hydroxy-2-methylbenzene
2-Hydroxytoluene
2-cresol
2-hydroxy-1-methylbenzene
2-hydroxytoluene
o-Kresol
o-Methylphenol
o-cresylic acid
ortho-cresol
orthocresol
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Definitions
A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_25399
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rdfs:label
o-cresol
obo_purl:charge
0
obo_purl:formula
C7H8O
obo_purl:inchi
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
obo_purl:inchikey
QWVGKYWNOKOFNN-UHFFFAOYSA-N
obo_purl:mass
108.13780
obo_purl:monoisotopicmass
108.05751
obo_purl:smiles
Cc1ccccc1O
obo_purl:IAO_0000115
A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.
oboinowl_gen:hasExactSynonym
2-methylphenol
o-Cresol
oboinowl_gen:hasRelatedSynonym
1-hydroxy-2-methylbenzene
2-Hydroxytoluene
2-cresol
2-hydroxy-1-methylbenzene
2-hydroxytoluene
o-Kresol
o-Methylphenol
o-cresylic acid
ortho-cresol
orthocresol
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oboinowl_gen:hasDbXref
PMID:15687000
Beilstein:506917
CAS:95-48-7
Gmelin:101619
HMDB:HMDB0002055
KEGG:C01542
KNApSAcK:C00030878
PDBeChem:JZ0
Reaxys:506917
UM-BBD_compID:c0281
Wikipedia:O-Cresol
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oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:28054
skos:notation
CHEBI:28054
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76967
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oboinowl_gen:hasAlternativeId
CHEBI:10609
CHEBI:25617
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