EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H14O5 |
| Net Charge | 0 |
| Average Mass | 274.272 |
| Monoisotopic Mass | 274.08412 |
| SMILES | COc1cc(O)c2c(C)cc(OC)c3c2c1COC3=O |
| InChI | InChI=1S/C15H14O5/c1-7-4-11(19-3)14-13-8(6-20-15(14)17)10(18-2)5-9(16)12(7)13/h4-5,16H,6H2,1-3H3 |
| InChIKey | GXJKCJXYULSVHS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium hordei (ncbitaxon:40994) | - | PubMed (15568774) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Corymbiferan lactone D (CHEBI:209262) is a naphthols (CHEBI:25392) |
| IUPAC Name |
|---|
| 8-hydroxy-6,12-dimethoxy-10-methyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 9325113 | ChemSpider |