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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_27434
http://purl.obolibrary.org/obo/CHEBI_27434
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_27434
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Preferred name
o-tolualdehyde
Synonyms
2-methylbenzaldehyde
o-Tolualdehyde
2-Formyltoluene
2-Methylbenzaldehyde
2-Tolualdehyde
o-Methylbenazldehyde
o-Toluic aldehyde
o-Toluylaldehyde
o-Tolylaldehyde
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Definitions
A tolualdehyde compound with the methyl substituent at the 2-position.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_27020
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rdfs:label
o-tolualdehyde
obo_purl:charge
0
obo_purl:formula
C8H8O
obo_purl:inchi
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
obo_purl:inchikey
BTFQKIATRPGRBS-UHFFFAOYSA-N
obo_purl:mass
120.14850
obo_purl:monoisotopicmass
120.05751
obo_purl:smiles
Cc1ccccc1C=O
obo_purl:IAO_0000115
A tolualdehyde compound with the methyl substituent at the 2-position.
oboinowl_gen:hasExactSynonym
2-methylbenzaldehyde
o-Tolualdehyde
oboinowl_gen:hasRelatedSynonym
2-Formyltoluene
2-Methylbenzaldehyde
2-Tolualdehyde
o-Methylbenazldehyde
o-Toluic aldehyde
o-Toluylaldehyde
o-Tolylaldehyde
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oboinowl_gen:hasDbXref
Beilstein:605841
CAS:529-20-4
Gmelin:3304
HMDB:HMDB0029636
KEGG:C07214
PMID:20016999
PMID:24312872
Reaxys:605841
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oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:27434
skos:notation
CHEBI:27434
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_76924
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oboinowl_gen:hasAlternativeId
CHEBI:1197
CHEBI:19689
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