EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H18O4 |
| Net Charge | 0 |
| Average Mass | 214.261 |
| Monoisotopic Mass | 214.12051 |
| SMILES | C/C(C=O)=C\[C@]1(C)O[C@H](C)[C@](C)(O)[C@H]1O |
| InChI | InChI=1S/C11H18O4/c1-7(6-12)5-10(3)9(13)11(4,14)8(2)15-10/h5-6,8-9,13-14H,1-4H3/b7-5+/t8-,9+,10+,11+/m1/s1 |
| InChIKey | YDZGIHHZMNNFMM-NWUITSLLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | DOI (10.1016/s0040-4039(01)81515-x) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Citreoviral (CHEBI:217688) is a oxolanes (CHEBI:26912) |
| IUPAC Name |
|---|
| (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal |
| Manual Xrefs | Databases |
|---|---|
| 4946426 | ChemSpider |