vanillin (CHEBI:18346)

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ChEBI Name	vanillin

ChEBI ID	CHEBI:18346

Definition	A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:1842, CHEBI:48387, CHEBI:15302, CHEBI:20380

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Formula

C8H8O3

Net Charge

Average Mass

152.149

Monoisotopic Mass

152.04734

InChI

InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

InChIKey

MWOOGOJBHIARFG-UHFFFAOYSA-N

SMILES

[H]C(=O)C1=CC(OC)=C(O)C=C1

Metabolite of Species	Details
Beilschmiedia tsangii (IPNI:462970-1)	Found in root (BTO:0001188). Cold MeOH extract of dry and sliced roots See: PubMed
Pisonia aculeata (NCBI:txid363212)	Found in stem (BTO:0001300). Cold methanolic extract of dried stems and roots See: PubMed
Pisonia aculeata (NCBI:txid363212)	Found in root (BTO:0001188). Cold methanolic extract of dried stems and roots See: PubMed
Panax japonicus var. major (NCBI:txid45211)	Found in root (BTO:0001188). Ethanolic extract of dried and pulverized roots See: PubMed

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects. anticonvulsant A drug used to prevent seizures or reduce their severity. flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	vanillin (CHEBI:18346) has role anti-inflammatory agent (CHEBI:67079) vanillin (CHEBI:18346) has role anticonvulsant (CHEBI:35623) vanillin (CHEBI:18346) has role antioxidant (CHEBI:22586) vanillin (CHEBI:18346) has role flavouring agent (CHEBI:35617) vanillin (CHEBI:18346) has role plant metabolite (CHEBI:76924) vanillin (CHEBI:18346) is a benzaldehydes (CHEBI:22698) vanillin (CHEBI:18346) is a monomethoxybenzene (CHEBI:25235) vanillin (CHEBI:18346) is a phenols (CHEBI:33853)

Incoming	5-nitrovanillin (CHEBI:48385) has functional parent vanillin (CHEBI:18346) ethyl vanillin (CHEBI:48408) has functional parent vanillin (CHEBI:18346) vanillin acetate (CHEBI:86956) has functional parent vanillin (CHEBI:18346)

IUPAC Name

4-hydroxy-3-methoxybenzaldehyde

Synonyms	Sources
3-methoxy-4-hydroxybenzaldehyde	UM-BBD
4-formyl-2-methoxyphenol	ChemIDplus
4-Hydroxy-3-methoxy-benzaldehyde	KEGG COMPOUND
4-hydroxy-3-methoxybenzaldehyde	ChemIDplus
4-Hydroxy-3-methoxybenzaldehyde	KEGG COMPOUND
4-hydroxy-m-anisaldehyde	NIST Chemistry WebBook
methylprotocatechuic aldehyde	ChemIDplus
p-hydroxy-m-methoxybenzaldehyde	NIST Chemistry WebBook
p-vanillin	NIST Chemistry WebBook
vaniline	ChEBI
vanillaldehyde	ChemIDplus
Vanillaldehyde	KEGG COMPOUND
vanillic aldehyde	ChemIDplus
Vanillin	KEGG COMPOUND
vanillin	UniProt

Last Modified

01 July 2021