EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H8O3 |
| Net Charge | 0 |
| Average Mass | 152.149 |
| Monoisotopic Mass | 152.04734 |
| SMILES | Cc1occc(=O)c1CC=O |
| InChI | InChI=1S/C8H8O3/c1-6-7(2-4-9)8(10)3-5-11-6/h3-5H,2H2,1H3 |
| InChIKey | OJRUCLKIAXLMBK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-methyl-4-oxo-3-pyranyl)acetaldehyde (CHEBI:107665) is a 4-pyranones (CHEBI:131906) |
| 2-(2-methyl-4-oxo-3-pyranyl)acetaldehyde (CHEBI:107665) is a aldehyde (CHEBI:17478) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19044 | LINCS |