CHEBI:136805 - 3-methoxybenzaldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methoxybenzaldehyde
ChEBI ID CHEBI:136805
Definition A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H8O2
Net Charge 0
Average Mass 136.148
Monoisotopic Mass 136.05243
InChI InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIKey WMPDAIZRQDCGFH-UHFFFAOYSA-N
SMILES C1(=CC(=CC=C1)C(=O)[H])OC
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: PubMed
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Roles Classification
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3-Anisaldehyde NIST Chemistry WebBook
m-anisaldehyde ChEBI
m-methoxybenzaldehyde ChEBI
meta-anisaldehyde ChEBI
meta-methoxybenzaldehyde ChEBI
Metamethoxybenzaldehyde ChemIDplus
Manual Xrefs Databases
21106184 Chemspider accession
CPD-8779 MetaCyc
HMDB0031459 HMDB
View more database links
Registry Numbers Types Sources
591-31-1 CAS Registry Number NIST Chemistry WebBook
591-31-1 CAS Registry Number ChemIDplus
606013 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
26459211 PubMed citation Europe PMC
28534921 PubMed citation Europe PMC
Last Modified
13 April 2018