EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22O4 |
| Net Charge | 0 |
| Average Mass | 230.304 |
| Monoisotopic Mass | 230.15181 |
| SMILES | CCCC(C)(O)C(O)[C@@]1(C)C[C@@H](C)C(=O)O1 |
| InChI | InChI=1S/C12H22O4/c1-5-6-11(3,15)10(14)12(4)7-8(2)9(13)16-12/h8,10,14-15H,5-7H2,1-4H3/t8-,10?,11?,12-/m1/s1 |
| InChIKey | CMRPPBFRISETMO-OZOYIQBDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nocardiopsis lucentensis DSM 44048 (ncbitaxon:1246460) | - | PubMed (26540143) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lucentide B (CHEBI:198001) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 78440706 | ChemSpider |