EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H16O4 |
| Net Charge | 0 |
| Average Mass | 212.245 |
| Monoisotopic Mass | 212.10486 |
| SMILES | CCCC1=C/C(=C/[C@H](O)[C@H](C)O)OC1=O |
| InChI | InChI=1S/C11H16O4/c1-3-4-8-5-9(15-11(8)14)6-10(13)7(2)12/h5-7,10,12-13H,3-4H2,1-2H3/b9-6-/t7-,10-/m0/s1 |
| InChIKey | UBKACRCUIDSXLA-UAADGWBESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | |||
| - | PubMed (31344841) | ||
| - | PubMed (31817515) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Penicilactone A (CHEBI:208619) is a butenolide (CHEBI:50523) |
| IUPAC Names |
|---|
| (5Z)-5-[(2S,3S)-2,3-dihydroxybutylidene]-3-propyluran-2-one |
| (3-hydroxy-5-methylphenyl) 2-[(2S)-2-hydroxy-4-methyl-5-oxouran-2-yl]acetate |