EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H12O3 |
| Net Charge | 0 |
| Average Mass | 180.203 |
| Monoisotopic Mass | 180.07864 |
| SMILES | CCCc1occc(=O)c1CC=O |
| InChI | InChI=1S/C10H12O3/c1-2-3-10-8(4-6-11)9(12)5-7-13-10/h5-7H,2-4H2,1H3 |
| InChIKey | AOJCEJLTPMUITR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-oxo-2-propyl-3-pyranyl)acetaldehyde (CHEBI:108587) is a 4-pyranones (CHEBI:131906) |
| 2-(4-oxo-2-propyl-3-pyranyl)acetaldehyde (CHEBI:108587) is a aldehyde (CHEBI:17478) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19965 | LINCS |