EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H18O4 |
| Net Charge | 0 |
| Average Mass | 250.294 |
| Monoisotopic Mass | 250.12051 |
| SMILES | C=C(C)[C@@H](O)COc1ccc(CC(=O)OC)cc1 |
| InChI | InChI=1S/C14H18O4/c1-10(2)13(15)9-18-12-6-4-11(5-7-12)8-14(16)17-3/h4-7,13,15H,1,8-9H2,2-3H3/t13-/m0/s1 |
| InChIKey | PYYHOQKLLMMOGK-ZDUSSCGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (32456085) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2'R)-westerdijkin A (CHEBI:210086) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| methyl 2-[4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]phenyl]acetate |
| Manual Xrefs | Databases |
|---|---|
| 83986150 | ChemSpider |