EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H14O5 |
| Net Charge | 0 |
| Average Mass | 238.239 |
| Monoisotopic Mass | 238.08412 |
| SMILES | CCCc1cc2c(c(=O)o1)C(=O)[C@@H](O)[C@H](C)O2 |
| InChI | InChI=1S/C12H14O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h5-6,10,13H,3-4H2,1-2H3/t6-,10-/m0/s1 |
| InChIKey | BSUSLLVRDNRCFE-WKEGUHRASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Epicoccum (ncbitaxon:104397) | - | PubMed (31336899) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione (CHEBI:208543) is a aromatic ketone (CHEBI:76224) |
| IUPAC Name |
|---|
| (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione |
| Manual Xrefs | Databases |
|---|---|
| 75590314 | ChemSpider |