EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H14O3 |
| Net Charge | 0 |
| Average Mass | 182.219 |
| Monoisotopic Mass | 182.09429 |
| SMILES | C[C@H]1CC[C@H](/C(C=O)=C/O)[C@@H]1C=O |
| InChI | InChI=1S/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-7,9-11H,2-3H2,1H3/b8-4+/t7-,9+,10+/m0/s1 |
| InChIKey | PFGBAVLSGZLAAY-JYPFKNLRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Iridotrial (CHEBI:5968) is a monoterpenoid (CHEBI:25409) |
| Synonyms | Source |
|---|---|
| Iridotrial | KEGG COMPOUND |
| (1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C06070 | KEGG COMPOUND |