EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H20O5 |
| Net Charge | 0 |
| Average Mass | 244.287 |
| Monoisotopic Mass | 244.13107 |
| SMILES | CCC[C@H]1O[C@H]2CC[C@@H](O)C(=O)[C@H]2[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C12H20O5/c1-2-3-8-11(15)12(16)9-7(17-8)5-4-6(13)10(9)14/h6-9,11-13,15-16H,2-5H2,1H3/t6-,7+,8-,9+,11-,12-/m1/s1 |
| InChIKey | IRHFOTANGJAUKT-BYHQFCFISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Verbenanone (CHEBI:217571) is a C-glycosyl compound (CHEBI:20857) |
| IUPAC Name |
|---|
| (2R,3S,4R,4aS,6R,8aS)-3,4,6-trihydroxy-2-propyl-2,3,4,4a,6,7,8,8a-octahydrochromen-5-one |
| Manual Xrefs | Databases |
|---|---|
| 78439387 | ChemSpider |