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CHEBI:30816 - vanillic acid
| Formula | C8H8O4 |
| Net Charge | 0 |
| Average Mass | 168.148 |
| Monoisotopic Mass | 168.04226 |
| SMILES | COc1cc(C(=O)O)ccc1O |
| InChI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| InChIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lepisorus contortus (ncbitaxon:699669) | whole plant (BTO:0001461) | PubMed (21261296) | 95% EtOH extract of air-dried, powdered whole plant |
| Paeonia rockii subsp. rockii (ncbitaxon:459179) | root (BTO:0001188) | PubMed (21954959) | Isolated from chloroform soluble extract of air-dried and powdered roots |
| Cordyceps sinensis (ncbitaxon:72228) | mycelium (BTO:0001436) | PubMed (21848266) | Ethanolic extract of dried mycelia |
| Carthamus oxyacantha (ncbitaxon:122010) | aerial part (BTO:0001658) | PubMed (22060189) | Crude ethanolic extract of aerial parts |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vanillic acid (CHEBI:30816) has role plant metabolite (CHEBI:76924) |
| vanillic acid (CHEBI:30816) is a methoxybenzoic acid (CHEBI:25238) |
| vanillic acid (CHEBI:30816) is a monohydroxybenzoic acid (CHEBI:25389) |
| vanillic acid (CHEBI:30816) is conjugate acid of vanillate (CHEBI:16632) |
| Incoming Relation(s) |
| (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether (CHEBI:67649) has functional parent vanillic acid (CHEBI:30816) |
| 1-O-vanilloyl-β-D-glucose (CHEBI:71512) has functional parent vanillic acid (CHEBI:30816) |
| 3-O-vanillyceanothic acid (CHEBI:66348) has functional parent vanillic acid (CHEBI:30816) |
| litseaefoloside C (CHEBI:66582) has functional parent vanillic acid (CHEBI:30816) |
| methyl vanillate (CHEBI:46477) has functional parent vanillic acid (CHEBI:30816) |
| mochimganine (CHEBI:192760) has functional parent vanillic acid (CHEBI:30816) |
| tschimganine (CHEBI:142517) has functional parent vanillic acid (CHEBI:30816) |
| vanillate (CHEBI:16632) is conjugate base of vanillic acid (CHEBI:30816) |
| IUPAC Name |
|---|
| 4-hydroxy-3-methoxybenzoic acid |
| Synonyms | Source |
|---|---|
| 4-Hydroxy-3-methoxybenzoic acid | KEGG COMPOUND |
| Vanillic acid | KEGG COMPOUND |
| Citations |
|---|