EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H16O3 |
| Net Charge | 0 |
| Average Mass | 172.224 |
| Monoisotopic Mass | 172.10994 |
| SMILES | CC(=O)C[C@@H]1O[C@@H](C)CC[C@H]1O |
| InChI | InChI=1S/C9H16O3/c1-6(10)5-9-8(11)4-3-7(2)12-9/h7-9,11H,3-5H2,1-2H3/t7-,8+,9-/m0/s1 |
| InChIKey | GDXDHEIQIIZPSF-YIZRAAEISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicilliumspecies (ncbitaxon:5081) | - | PubMed (1517163) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Decarestrictine L (CHEBI:200101) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| 1-[(2S,3R,6S)-3-hydroxy-6-methyloxan-2-yl]propan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 8210618 | ChemSpider |