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CHEBI:18346 - vanillin
| Formula | C8H8O3 |
| Net Charge | 0 |
| Average Mass | 152.149 |
| Monoisotopic Mass | 152.04734 |
| SMILES | [H]C(=O)c1ccc(O)c(OC)c1 |
| InChI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Beilschmiedia tsangii (IPNI:462970-1) | root (BTO:0001188) | PubMed (21846089) | Cold MeOH extract of dry and sliced roots |
| Panax japonicus var. major (ncbitaxon:45211) | root (BTO:0001188) | PubMed (21417387) | Ethanolic extract of dried and pulverized roots |
| Pisonia aculeata (ncbitaxon:363212) | |||
| stem (BTO:0001300) | PubMed (21542597) | Cold methanolic extract of dried stems and roots | |
| root (BTO:0001188) | PubMed (21542597) | Cold methanolic extract of dried stems and roots |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | 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. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 3-methoxy-4-hydroxybenzaldehyde | UM-BBD |
| 4-formyl-2-methoxyphenol | ChemIDplus |
| 4-hydroxy-3-methoxybenzaldehyde | ChemIDplus |
| 4-Hydroxy-3-methoxy-benzaldehyde | KEGG COMPOUND |
| 4-Hydroxy-3-methoxybenzaldehyde | KEGG COMPOUND |
| 4-hydroxy-m-anisaldehyde | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| vanillin | UniProt |
| Citations |
|---|