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 | CC=Cc1cc2c(c(=O)o1)C(O)C(O)C(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/h3-6,10-11,13-14H,1-2H3 |
| InChIKey | RMDHRYWEFJLSJF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Radicinol (CHEBI:201383) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| (2S,3R,4S)-3,4-dihydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one |
| Manual Xrefs | Databases |
|---|---|
| 4946759 | ChemSpider |