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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:28476 -
m
-tolualdehyde
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ChEBI Name
m
-tolualdehyde
ChEBI ID
CHEBI:28476
ChEBI ASCII Name
m-tolualdehyde
Definition
A tolualdehyde compound with the methyl substituent at the 3-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1592, CHEBI:20122
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Formula
C8H8O
Net Charge
0
Average Mass
120.14850
Monoisotopic Mass
120.05751
InChI
InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChIKey
OVWYEQOVUDKZNU-UHFFFAOYSA-N
SMILES
Cc1cccc(C=O)c1
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
m
-tolualdehyde (
CHEBI:28476
)
has role
plant metabolite (
CHEBI:76924
)
m
-tolualdehyde (
CHEBI:28476
)
is a
tolualdehyde (
CHEBI:27020
)
IUPAC Name
3-methylbenzaldehyde
Synonyms
Sources
3-Methylbenzaldehyde
KEGG COMPOUND
3-methylbenzaldehyde
UniProt
3-Tolylaldehyde
ChemIDplus
m-Methylbenzaldehyde
ChemIDplus
m-Tolualdehyde
KEGG COMPOUND
m-Toluylaldehyde
NIST Chemistry WebBook
m-Tolyl aldehyde
ChemIDplus
Manual Xrefs
Databases
C07209
KEGG COMPOUND
CPD-8774
MetaCyc
HMDB0029637
HMDB
View more database links
Registry Numbers
Types
Sources
482069
Gmelin Registry Number
Gmelin
620-23-5
CAS Registry Number
KEGG COMPOUND
620-23-5
CAS Registry Number
NIST Chemistry WebBook
620-23-5
CAS Registry Number
ChemIDplus
741964
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12791539
PubMed citation
Europe PMC
24312872
PubMed citation
Europe PMC
Last Modified
30 May 2024