EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20O4 |
| Net Charge | 0 |
| Average Mass | 228.288 |
| Monoisotopic Mass | 228.13616 |
| SMILES | C[C@H]1CCCCC[C@@H](O)C(=O)CCC(=O)O1 |
| InChI | InChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h9-10,13H,2-8H2,1H3/t9-,10+/m0/s1 |
| InChIKey | CIJJDBDXMBZOAO-VHSXEESVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cladosporium tenuissimum (ncbitaxon:70808) | - | DOI (10.1002/hlca.200690055) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6R,12S)-6-hydroxy-12-methyloxacyclodoecane-2,5-dione (CHEBI:199972) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (6R,12S)-6-hydroxy-12-methyl-oxacyclododecane-2,5-dione |
| Manual Xrefs | Databases |
|---|---|
| 28283291 | ChemSpider |