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CHEBI:82681 - 3-methoxy-5-methyl-1-naphthoic acid
| Formula | C13H12O3 |
| Net Charge | 0 |
| Average Mass | 216.236 |
| Monoisotopic Mass | 216.07864 |
| SMILES | COc1cc(C(=O)O)c2cccc(C)c2c1 |
| InChI | InChI=1S/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15) |
| InChIKey | LBYWDHUJYQYMJV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces sahachiroi (ncbitaxon:285525) | - | PubMed (20485749) | |
| Streptomyces griseofuscus (ncbitaxon:146922) | - | PubMed (20485749) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) has role bacterial metabolite (CHEBI:76969) |
| 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) is a aromatic ether (CHEBI:35618) |
| 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) is a naphthoic acid (CHEBI:25483) |
| 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) is conjugate acid of 3-methoxy-5-methyl-1-naphthoate (CHEBI:78620) |
| Incoming Relation(s) |
| 3-methoxy-5-methyl-1-naphthoate (CHEBI:78620) is conjugate base of 3-methoxy-5-methyl-1-naphthoic acid (CHEBI:82681) |
| IUPAC Name |
|---|
| 3-methoxy-5-methyl-1-naphthoic acid |
| Manual Xrefs | Databases |
|---|---|
| CPD-16516 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2805486 | Reaxys |
| Citations |
|---|