EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12O5 |
| Net Charge | 0 |
| Average Mass | 248.234 |
| Monoisotopic Mass | 248.06847 |
| SMILES | C=C1OC(=O)[C@@]2(C1=O)[C@@H](/C=C/C)C=CC(=O)[C@H]2O |
| InChI | InChI=1S/C13H12O5/c1-3-4-8-5-6-9(14)11(16)13(8)10(15)7(2)18-12(13)17/h3-6,8,11,16H,2H2,1H3/b4-3+/t8-,11+,13+/m0/s1 |
| InChIKey | WETHNNOPLCDUPU-HYYKWCMDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arthropsis (ncbitaxon:1213591) | - | DOI (10.1139/v92-172) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Arthropsolide B (CHEBI:217113) is a cyclohexenones (CHEBI:48953) |
| IUPAC Name |
|---|
| (5S,6S,10S)-6-hydroxy-3-methylidene-10-[(E)-prop-1-enyl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione |
| Manual Xrefs | Databases |
|---|---|
| 78437573 | ChemSpider |