EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O5 |
| Net Charge | 0 |
| Average Mass | 224.212 |
| Monoisotopic Mass | 224.06847 |
| SMILES | C=C1OC(=O)[C@]23[C@@H]1OC(CC(=O)[C@@H]2O)[C@H]3C |
| InChI | InChI=1S/C11H12O5/c1-4-7-3-6(12)8(13)11(4)9(16-7)5(2)15-10(11)14/h4,7-9,13H,2-3H2,1H3/t4-,7?,8+,9-,11+/m1/s1 |
| InChIKey | OVBNBTYAVURRMB-LFGSEZOTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| V214w (CHEBI:209929) is a furofuran (CHEBI:47790) |
| IUPAC Name |
|---|
| (1S,5S,10R,11S)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecane-2,9-dione |
| Manual Xrefs | Databases |
|---|---|
| 78440353 | ChemSpider |