EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H22O4 |
| Net Charge | 0 |
| Average Mass | 266.337 |
| Monoisotopic Mass | 266.15181 |
| SMILES | C=C1CO[C@]2(O)C[C@H](C)C3=C(C[C@](C)(CO)C3)[C@]12O |
| InChI | InChI=1S/C15H22O4/c1-9-4-14(17)15(18,10(2)7-19-14)12-6-13(3,8-16)5-11(9)12/h9,16-18H,2,4-8H2,1,3H3/t9-,13+,14+,15+/m0/s1 |
| InChIKey | AUSSNWVQWKASCI-PSQHIMEXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pleurotus cystidiosus (ncbitaxon:28992) | - | PubMed (25537793) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Clitocybulol F (CHEBI:207021) is a oxolanes (CHEBI:26912) |
| IUPAC Name |
|---|
| (3aR,5S,7R,8bS)-7-(hydroxymethyl)-5,7-dimethyl-1-methylidene-4,5,6,8-tetrahydrocyclopenta[e][1]benzouran-3a,8b-diol |
| Manual Xrefs | Databases |
|---|---|
| 78437324 | ChemSpider |