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CHEBI:28476 - m-tolualdehyde

ChEBI IDCHEBI:28476
ChEBI Namem-tolualdehyde
Stars
ASCII Namem-tolualdehyde
DefinitionA tolualdehyde compound with the methyl substituent at the 3-position.
Secondary ChEBI IDsCHEBI:1592, CHEBI:20122
Last Modified30 May 2024
DownloadsMolfile
FormulaC8H8O
Net Charge0
Average Mass120.151
Monoisotopic Mass120.05751
SMILESCc1cccc(C=O)c1
InChIInChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChIKeyOVWYEQOVUDKZNU-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
m-tolualdehyde (CHEBI:28476) has role plant metabolite (CHEBI:76924)
m-tolualdehyde (CHEBI:28476) is a tolualdehyde (CHEBI:27020)
IUPAC Name 
3-methylbenzaldehyde
Synonyms  Source
3-MethylbenzaldehydeKEGG COMPOUND
3-TolylaldehydeChemIDplus
m-MethylbenzaldehydeChemIDplus
m-TolualdehydeKEGG COMPOUND
m-ToluylaldehydeNIST Chemistry WebBook
m-Tolyl aldehydeChemIDplus
UniProt Name  Source
3-methylbenzaldehydeUniProt
Manual XrefsDatabases
C07209KEGG COMPOUND
CPD-8774MetaCyc
HMDB0029637HMDB
Registry NumbersSources
Gmelin:482069Gmelin
Reaxys:741964Reaxys
CAS:620-23-5KEGG COMPOUND
CAS:620-23-5ChemIDplus
CAS:620-23-5NIST Chemistry WebBook
Citations