EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20O5 |
| Net Charge | 0 |
| Average Mass | 244.287 |
| Monoisotopic Mass | 244.13107 |
| SMILES | C=C(C(=O)O)C(CCCCC(C)O)C(=O)OC |
| InChI | InChI=1S/C12H20O5/c1-8(13)6-4-5-7-10(12(16)17-3)9(2)11(14)15/h8,10,13H,2,4-7H2,1,3H3,(H,14,15) |
| InChIKey | QSAIBULZNVPLAJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-Hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid (CHEBI:181035) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9486077 | ChemSpider |