EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H22O3 |
| Net Charge | 0 |
| Average Mass | 238.327 |
| Monoisotopic Mass | 238.15689 |
| SMILES | CC1(C)C[C@H]2C(=O)C=C(CCO)[C@](C)(O)[C@H]2C1 |
| InChI | InChI=1S/C14H22O3/c1-13(2)7-10-11(8-13)14(3,17)9(4-5-15)6-12(10)16/h6,10-11,15,17H,4-5,7-8H2,1-3H3/t10-,11+,14+/m1/s1 |
| InChIKey | KUBWUIKYFIDKQI-SUNKGSAMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stereum (ncbitaxon:5644) | - | PubMed (22595359) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sterostrein J (CHEBI:219346) is a cyclohexenones (CHEBI:48953) |
| IUPAC Name |
|---|
| (3aR,7R,7aS)-7-hydroxy-6-(2-hydroxyethyl)-2,2,7-trimethyl-1,3,3a,7a-tetrahydroinden-4-one |