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CHEBI:142601 - 3,5-dimethoxybenzoic acid
| Formula | C9H10O4 |
| Net Charge | 0 |
| Average Mass | 182.175 |
| Monoisotopic Mass | 182.05791 |
| SMILES | COc1cc(OC)cc(C(=O)O)c1 |
| InChI | InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11) |
| InChIKey | IWPZKOJSYQZABD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Calophyllum polyanthum (ncbitaxon:1679397) | seed (BTO:0001226) | PubMed (15387670) | |
| Caragana conferta (ncbitaxon:626677) | whole plant (BTO:0001461) | PubMed (19708767) |
| 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) |
| 3,5-dimethoxybenzoic acid (CHEBI:142601) has role plant metabolite (CHEBI:76924) |
| 3,5-dimethoxybenzoic acid (CHEBI:142601) is a methoxybenzoic acid (CHEBI:25238) |
| 3,5-dimethoxybenzoic acid (CHEBI:142601) is conjugate acid of 3,5-dimethoxybenzoate (CHEBI:142602) |
| Incoming Relation(s) |
| β-hibitakanine (CHEBI:142524) has functional parent 3,5-dimethoxybenzoic acid (CHEBI:142601) |
| 3,5-dimethoxybenzoate (CHEBI:142602) is conjugate base of 3,5-dimethoxybenzoic acid (CHEBI:142601) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0127495 | HMDB |
| Citations |
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