EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H20O4 |
| Net Charge | 0 |
| Average Mass | 252.310 |
| Monoisotopic Mass | 252.13616 |
| SMILES | COC(OC)C1=C[C@@]2(CC=C(C)C)C(=O)O[C@H]2C1 |
| InChI | InChI=1S/C14H20O4/c1-9(2)5-6-14-8-10(12(16-3)17-4)7-11(14)18-13(14)15/h5,8,11-12H,6-7H2,1-4H3/t11-,14+/m0/s1 |
| InChIKey | GACCQQMPKZGHGJ-SMDDNHRTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stereum ostrea (ncbitaxon:103387) | - | PubMed (28006918) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ostalactone B (CHEBI:206241) is a β-lactone (CHEBI:49043) |
| IUPAC Name |
|---|
| (1R,5S)-3-(dimethoxymethyl)-1-(3-methylbut-2-enyl)-6-oxabicyclo[3.2.0]hept-2-en-7-one |
| Manual Xrefs | Databases |
|---|---|
| 76802473 | ChemSpider |