EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H18O3 |
| Net Charge | 0 |
| Average Mass | 222.284 |
| Monoisotopic Mass | 222.12559 |
| SMILES | O=C(CCCCO)OCCc1ccccc1 |
| InChI | InChI=1S/C13H18O3/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2 |
| InChIKey | WUNCYYUGDLQEPH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pichia membranifaciens (ncbitaxon:4926) | - | PubMed (18314959) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pichiacin A (CHEBI:218063) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| 2-phenylethyl 5-hydroxypentanoate |
| Manual Xrefs | Databases |
|---|---|
| 27023753 | ChemSpider |