CHEBI:18346 - vanillin

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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 0
Average Mass 152.14730
Monoisotopic Mass 152.047
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)c1ccc(O)c(OC)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:363212) Found in stem (BTO:0001300). Cold methanolic extract of dried stems and roots See: PubMed
Pisonia aculeata (NCBI:363212) Found in root (BTO:0001188). Cold methanolic extract of dried stems and roots See: PubMed
Panax japonicus var. major (NCBI:45211) 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): 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.
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ChEBI Ontology
Outgoing 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-methoxybenzaldehyde UniProt
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
Database Links Databases
C00002683 KNApSAcK
C00029531 KNApSAcK
C00755 KEGG COMPOUND
c0193 UM-BBD
D00091 KEGG DRUG
V55 PDBeChem
Vanillin Wikipedia
View more database links
Registry Numbers Types Sources
121-33-5 CAS Registry Number ChemIDplus
121-33-5 CAS Registry Number ChemIDplus
121-33-5 CAS Registry Number NIST Chemistry WebBook
3596 Gmelin Registry Number Gmelin
472792 Beilstein Registry Number Beilstein
Last Modified
24 November 2016