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 152.04734
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)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: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): 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-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
Manual Xrefs 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
07 January 2020