EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H12O4 |
| Net Charge | 0 |
| Average Mass | 184.191 |
| Monoisotopic Mass | 184.07356 |
| SMILES | C=C1C(=O)O[C@@H](CCC)[C@@H]1C(=O)O |
| InChI | InChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6-7H,2-4H2,1H3,(H,10,11)/t6-,7+/m0/s1 |
| InChIKey | SRQUTZJZABSZRQ-NKWVEPMBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R)-4-methylene-5-oxo-2-propyl-3-oxolanecarboxylic acid (CHEBI:125615) is a γ-lactone (CHEBI:37581) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37169 | LINCS |