EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H10O5 |
| Net Charge | 0 |
| Average Mass | 174.152 |
| Monoisotopic Mass | 174.05282 |
| SMILES | O=C1C(CO)=C[C@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4,6-9,11-12H,2H2/t4-,6-,7-/m0/s1 |
| InChIKey | DEJZWTDEKQRWLD-QTSITTDLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gabosine E (CHEBI:221374) is a cyclohexenones (CHEBI:48953) |
| IUPAC Name |
|---|
| (4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one |
| Manual Xrefs | Databases |
|---|---|
| 8640198 | ChemSpider |