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CHEBI:55501 - 4-methoxyphenylacetic acid
| Formula | C9H10O3 |
| Net Charge | 0 |
| Average Mass | 166.176 |
| Monoisotopic Mass | 166.06299 |
| SMILES | COc1ccc(CC(=O)O)cc1 |
| InChI | InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | NRPFNQUDKRYCNX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (19812218) | ||
| blood (UBERON:0000178) | PubMed (19812218) | ||
| saliva (UBERON:0001836) | PubMed (21190195) | ||
| Berberis koreana (ncbitaxon:211974) | - | PubMed (21420296) | extracted from the trunk |
| Aspergillus niger (ncbitaxon:5061) | - | Article (Phytochemistry, 1988, 27(10), 3169-3173) | Strain: var. Tieghem. |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . 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) |
| 4-methoxyphenylacetic acid (CHEBI:55501) has role Aspergillus metabolite (CHEBI:76956) |
| 4-methoxyphenylacetic acid (CHEBI:55501) has role plant growth retardant (CHEBI:35219) |
| 4-methoxyphenylacetic acid (CHEBI:55501) has role plant metabolite (CHEBI:76924) |
| 4-methoxyphenylacetic acid (CHEBI:55501) is a monocarboxylic acid (CHEBI:25384) |
| 4-methoxyphenylacetic acid (CHEBI:55501) is a monomethoxybenzene (CHEBI:25235) |
| IUPAC Name |
|---|
| (4-methoxyphenyl)acetic acid |
| Synonyms | Source |
|---|---|
| 2-(p-Anisyl)acetic acid | ChemIDplus |
| 4-Methoxybenzeneacetic acid | ChemIDplus |
| Homoanisic acid | ChemIDplus |
| p-Methoxyphenylacetic acid | ChemIDplus |
| (4-Methoxyphenyl)acetic acid | NIST Chemistry WebBook |
| p-methoxy-α-toluic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| HMDB0002072 | HMDB |
| Citations |
|---|