EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H24O5 |
| Net Charge | 0 |
| Average Mass | 320.385 |
| Monoisotopic Mass | 320.16237 |
| SMILES | COC1=C(OC)C(=O)C(CC=C(C)CCCC(C)=O)=C(C)C1=O |
| InChI | InChI=1S/C18H24O5/c1-11(7-6-8-12(2)19)9-10-14-13(3)15(20)17(22-4)18(23-5)16(14)21/h9H,6-8,10H2,1-5H3 |
| InChIKey | MALZBBXUOWKWND-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudoalteromonasspecies CGH2XX (ncbitaxon:1220804) | - | DOI (10.1016/j.tetlet.2012.01.104) |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pseudoalteromone A (CHEBI:219928) is a ubiquinones (CHEBI:16389) |
| IUPAC Name |
|---|
| 2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-enyl)cyclohexa-2,5-diene-1,4-dione |
| Manual Xrefs | Databases |
|---|---|
| 78435716 | ChemSpider |