EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20O4 |
| Net Charge | 0 |
| Average Mass | 336.387 |
| Monoisotopic Mass | 336.13616 |
| SMILES | C=C=CCOc1ccc(COc2ccc(/C=C/C(=O)OC)cc2)cc1 |
| InChI | InChI=1S/C21H20O4/c1-3-4-15-24-19-12-7-18(8-13-19)16-25-20-10-5-17(6-11-20)9-14-21(22)23-2/h4-14H,1,15-16H2,2H3/b14-9+ |
| InChIKey | HLKPORZRDZAWMC-NTEUORMPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Xylariaspecies (ncbitaxon:1715255) | - | PubMed (18569699) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7E)-3-[4-(4-buta-2,3-dienyloxy-benzyloxy)-phenyl]-acrylic acid methyl ester (CHEBI:201229) is a cinnamate ester (CHEBI:36087) |
| Manual Xrefs | Databases |
|---|---|
| 78435598 | ChemSpider |