EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H16O4 |
| Net Charge | 0 |
| Average Mass | 200.234 |
| Monoisotopic Mass | 200.10486 |
| SMILES | C[C@@H]1C[C@@H]2C[C@@H](O)C[C@H](O)[C@@H]2C(=O)O1 |
| InChI | InChI=1S/C10H16O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h5-9,11-12H,2-4H2,1H3/t5-,6-,7-,8+,9-/m1/s1 |
| InChIKey | VUWNQHJCILYZPN-GOFVFXDOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6beta-hydroxy-8-dihydroramulosin (CHEBI:202896) is a benzopyran (CHEBI:22727) |
| IUPAC Name |
|---|
| (3R,4aS,6R,8S,8aR)-6,8-dihydroxy-3-methyl-3,4,4a,5,6,7,8,8a-octahydroisochromen-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78436928 | ChemSpider |