CHEBI:136805 - 3-methoxybenzaldehyde

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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CHEBI:136805 Definition A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group.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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 3-methoxybenzaldehyde UniProt m-anisaldehyde ChEBI m-methoxybenzaldehyde ChEBI meta-anisaldehyde ChEBI meta-methoxybenzaldehyde ChEBI Metamethoxybenzaldehyde ChemIDplus Manual Xrefs Databases 21106184 ChemSpider 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 Types Sources 26459211 PubMed citation Europe PMC 28534921 PubMed citation Europe PMC Last Modified 24 September 2021