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CHEBI:28235 - p-methoxybenzaldehyde

Default Structure
ChEBI IDCHEBI:28235
ChEBI Namep-methoxybenzaldehyde
Stars
ASCII Namep-methoxybenzaldehyde
DefinitionA member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.
Secondary ChEBI IDsCHEBI:10619, CHEBI:25819
Last Modified24 September 2021
DownloadsMolfile
FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
SMILES[H]C(=O)c1ccc(OC)cc1
InChIInChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKeyZRSNZINYAWTAHE-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Artemisia dracunculus (ncbitaxon:72341) - PubMed (24817361)
Foeniculum vulgare (ncbitaxon:48038) - PubMed (24817361)
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (20809147)
Myrrhis odorata (ncbitaxon:40880) - PubMed (24817361)
Pseudomonas putida (ncbitaxon:303) - PubMed (22610435) Strain: JYR-1
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 urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application:
insect repellent  An insecticide that acts as a repellent to insects.
ChEBI Ontology
Outgoing Relation(s)
p-methoxybenzaldehyde (CHEBI:28235) has role bacterial metabolite (CHEBI:76969)
p-methoxybenzaldehyde (CHEBI:28235) has role human urinary metabolite (CHEBI:84087)
p-methoxybenzaldehyde (CHEBI:28235) has role insect repellent (CHEBI:71692)
p-methoxybenzaldehyde (CHEBI:28235) has role plant metabolite (CHEBI:76924)
p-methoxybenzaldehyde (CHEBI:28235) is a benzaldehydes (CHEBI:22698)
IUPAC Name 
4-methoxybenzaldehyde
Synonyms  Source
4-AnisaldehydeHMDB
4-Methoxy-BenzaldehydeHMDB
AnisalHMDB
p-AnisaldehydeKEGG COMPOUND
p-Anisic aldehydeHMDB
Para-AnisaldehydeHMDB
UniProt Name  Source
4-methoxybenzaldehydeUniProt
Manual XrefsDatabases
AnisaldehydeWikipedia
C00002636KNApSAcK
C10761KEGG COMPOUND
HMDB0029686HMDB
Registry NumbersSources
Reaxys:471382Reaxys
CAS:123-11-5KEGG COMPOUND
CAS:123-11-5NIST Chemistry WebBook
CAS:123-11-5ChemIDplus
Citations