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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_28872
http://purl.obolibrary.org/obo/CHEBI_28872
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28872
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Preferred name
o-toluate
Synonyms
o-Methylbenzoate
o-Toluate
2-toluate
2-methylbenzoate
Definitions
A toluate that is the conjugate base of o-toluic acid.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:19781
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
Cc1ccccc1C([O-])=O
obo_purl:charge
-1
obo_purl:inchikey
ZWLPBLYKEWSWPD-UHFFFAOYSA-M
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76206
oboinowl_gen:hasDbXref
UM-BBD_compID:c0251
KEGG:C07215
Beilstein:1866622
Reaxys:1866622
obo_purl:IAO_0000115
A toluate that is the conjugate base of o-toluic acid.
skos:notation
CHEBI:28872
oboinowl_gen:hasExactSynonym
o-Toluate
2-methylbenzoate
obo_purl:mass
135.13998
obo_purl:inchi
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
obo_purl:formula
C8H7O2
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_36632
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
o-Methylbenzoate
2-toluate
oboinowl_gen:id
CHEBI:28872
rdfs:label
o-toluate
obo_purl:monoisotopicmass
135.04515
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_27021
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