EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16O5 |
| Net Charge | 0 |
| Average Mass | 276.288 |
| Monoisotopic Mass | 276.09977 |
| SMILES | CO[C@@H]1CC(=O)c2c(O)c(C)c3cc(C)oc3c2[C@@H]1O |
| InChI | InChI=1S/C15H16O5/c1-6-4-8-7(2)13(17)11-9(16)5-10(19-3)14(18)12(11)15(8)20-6/h4,10,14,17-18H,5H2,1-3H3/t10-,14-/m1/s1 |
| InChIKey | XLUXTYMYHOLSII-QMTHXVAHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusarium (ncbitaxon:5506) | - | PubMed (20815366) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fusarnaphthoquinone B (CHEBI:219969) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| (8R,9S)-5,9-dihydroxy-8-methoxy-2,4-dimethyl-8,9-dihydro-7H-benzo[g][1]benzouran-6-one |
| Manual Xrefs | Databases |
|---|---|
| 25054248 | ChemSpider |