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Ontologies
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_36632
http://purl.obolibrary.org/obo/CHEBI_36632
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_36632
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Preferred name
o-toluic acid
Synonyms
2-toluic acid
Orthotoluic acid
o-Toluic Acid
2-Methylbenzoic acid
2-methylbenzoic acid
o-Toluylic acid
Definitions
A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:10610
CHEBI:19782
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
Cc1ccccc1C(O)=O
obo_purl:charge
0
obo_purl:inchikey
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76206
oboinowl_gen:hasDbXref
HMDB:HMDB0002340
PMID:16012080
KEGG:C07215
Reaxys:1072103
PMID:21793062
CAS:118-90-1
Wikipedia:O-Toluic_acid
Beilstein:1072103
PMID:23608356
obo_purl:IAO_0000115
A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.
skos:notation
CHEBI:36632
oboinowl_gen:hasExactSynonym
o-Toluic Acid
2-methylbenzoic acid
obo_purl:mass
136.14792
obo_purl:inchi
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
obo_purl:formula
C8H8O2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_28872
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
2-toluic acid
Orthotoluic acid
2-Methylbenzoic acid
o-Toluylic acid
oboinowl_gen:id
CHEBI:36632
rdfs:label
o-toluic acid
obo_purl:monoisotopicmass
136.05243
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_25280
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