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CHEBI:136805 - 3-methoxybenzaldehyde

ChEBI IDCHEBI:136805
ChEBI Name3-methoxybenzaldehyde
Stars
DefinitionA member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group.
Last Modified24 September 2021
Submittermwilliams
DownloadsMolfile
FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
SMILES[H]C(=O)c1cccc(OC)c1
InChIInChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIKeyWMPDAIZRQDCGFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
3-methoxybenzaldehyde (CHEBI:136805) has role Brassica napus metabolite (CHEBI:140165)
3-methoxybenzaldehyde (CHEBI:136805) is a benzaldehydes (CHEBI:22698)
3-methoxybenzaldehyde (CHEBI:136805) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
3-methoxybenzaldehyde
Synonyms  Source
3-AnisaldehydeNIST Chemistry WebBook
m-anisaldehydeChEBI
m-methoxybenzaldehydeChEBI
meta-anisaldehydeChEBI
meta-methoxybenzaldehydeChEBI
MetamethoxybenzaldehydeChemIDplus
UniProt Name  Source
3-methoxybenzaldehydeUniProt
Manual XrefsDatabases
21106184ChemSpider
CPD-8779MetaCyc
HMDB0031459HMDB
Registry NumbersSources
Reaxys:606013Reaxys
CAS:591-31-1NIST Chemistry WebBook
CAS:591-31-1ChemIDplus
Citations