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CHEBI:231520 - 3,5-dimethylbenzaldehyde

ChEBI IDCHEBI:231520
ChEBI Name3,5-dimethylbenzaldehyde
Stars
DefinitionA member of the class of benzaldehydes that is benzaldehyde substituted by methyl groups at positions 3 and 5, respectively.
Last Modified11 June 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC9H10O
Net Charge0
Average Mass134.178
Monoisotopic Mass134.07316
SMILES[H]C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
InChIKeyNBEFMISJJNGCIZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coffea arabica (ncbitaxon:13443) - DOI (10.1016/j.lwt.2023.115675)
Homo sapiens (ncbitaxon:9606) - PubMed (29395956)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethylbenzaldehyde (CHEBI:231520) has role human metabolite (CHEBI:77746)
3,5-dimethylbenzaldehyde (CHEBI:231520) has role plant metabolite (CHEBI:76924)
3,5-dimethylbenzaldehyde (CHEBI:231520) is a benzaldehydes (CHEBI:22698)
3,5-dimethylbenzaldehyde (CHEBI:231520) is a methylbenzene (CHEBI:38975)
IUPAC Name 
3,5-dimethylbenzaldehyde
Synonym  Source
m-xylene-5-carboxaldehydeChEBI
UniProt Name  Source
3,5-dimethylbenzaldehydeUniProt
Registry NumbersSources
Reaxys:2038840Reaxys
CAS:5779-95-3NIST Chemistry WebBook
Citations