EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14O5 |
| Net Charge | 0 |
| Average Mass | 250.250 |
| Monoisotopic Mass | 250.08412 |
| SMILES | C=C1OC(=O)c2c(OC)cc(OC)cc2[C@@]1(C)O |
| InChI | InChI=1S/C13H14O5/c1-7-13(2,15)9-5-8(16-3)6-10(17-4)11(9)12(14)18-7/h5-6,15H,1H2,2-4H3/t13-/m0/s1 |
| InChIKey | XQFDPQLLQBQOQH-ZDUSSCGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Poronia (ncbitaxon:101474) | - | DOI (10.1016/j.tetlet.2012.06.128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dihydro-6,8-dimethoxy-4-hydroxy-4-methyl-3-methyleneisochromen-1-one (CHEBI:206363) is a 2-benzopyran (CHEBI:38444) |
| IUPAC Name |
|---|
| (4R)-4-hydroxy-6,8-dimethoxy-4-methyl-3-methylideneisochromen-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78437314 | ChemSpider |