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CHEBI:88458 - 3-methoxybenzoic acid
| Formula | C8H8O3 |
| Net Charge | 0 |
| Average Mass | 152.149 |
| Monoisotopic Mass | 152.04734 |
| SMILES | COc1cccc(C(=O)O)c1 |
| InChI | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (19812218) | ||
| blood plasma (BTO:0000118) | PubMed (19812218) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methoxybenzoic acid (CHEBI:88458) has functional parent 3-hydroxybenzoic acid (CHEBI:30764) |
| 3-methoxybenzoic acid (CHEBI:88458) has role flavouring agent (CHEBI:35617) |
| 3-methoxybenzoic acid (CHEBI:88458) has role human urinary metabolite (CHEBI:84087) |
| 3-methoxybenzoic acid (CHEBI:88458) is a methoxybenzoic acid (CHEBI:25238) |
| 3-methoxybenzoic acid (CHEBI:88458) is conjugate acid of 3-methoxybenzoate (CHEBI:180538) |
| Incoming Relation(s) |
| 3-methoxybenzoate (CHEBI:180538) is conjugate base of 3-methoxybenzoic acid (CHEBI:88458) |
| IUPAC Name |
|---|
| 3-methoxybenzoic acid |
| Synonyms | Source |
|---|---|
| 3-anisic acid | ChemIDplus |
| 3-methoxy-benzoic acid | HMDB |
| benzoic acid, 3-methoxy- | HMDB |
| m-anisic acid | ChemIDplus |
| m-methoxybenzoic acid | ChemIDplus |
| m-methylsalicylic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| 10977 | ChemSpider |
| FDB010546 | FooDB |
| HMDB0032606 | HMDB |
| Citations |
|---|