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 | CC(=O)C[C@@]1(O)CC(=O)c2c(C)cc(O)cc2O1 |
| InChI | InChI=1S/C13H14O5/c1-7-3-9(15)4-11-12(7)10(16)6-13(17,18-11)5-8(2)14/h3-4,15,17H,5-6H2,1-2H3/t13-/m0/s1 |
| InChIKey | RMPWJHGWNLSRQT-ZDUSSCGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces violaceoruber (ncbitaxon:1935) | - | PubMed (29426772) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Violacin A (CHEBI:215469) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| 2,7-dihydroxy-5-methyl-2-(2-oxopropyl)-3H-chromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| 90628977 | ChemSpider |