EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H22O3 |
| Net Charge | 0 |
| Average Mass | 226.316 |
| Monoisotopic Mass | 226.15689 |
| SMILES | CC(O)/C=C/C1(O)C(C)CC(=O)CC1(C)C |
| InChI | InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+ |
| InChIKey | IHDJYDVWNNFPHR-AATRIKPKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,5-dihydrovomifoliol (CHEBI:138758) is a sesquiterpenoid (CHEBI:26658) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040615 | HMDB |