EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H18O3 |
| Net Charge | 0 |
| Average Mass | 234.295 |
| Monoisotopic Mass | 234.12559 |
| SMILES | CC1(C)C=C2C3=C(C(=O)OC3)[C@@](C)(O)C[C@H]2C1 |
| InChI | InChI=1S/C14H18O3/c1-13(2)4-8-5-14(3,16)11-10(9(8)6-13)7-17-12(11)15/h6,8,16H,4-5,7H2,1-3H3/t8-,14+/m1/s1 |
| InChIKey | OJRWXMRIJUQTIK-CLAHSXSESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Flammulina velutipes (ncbitaxon:38945) | - | DOI (10.1016/j.tet.2012.02.021) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Flammulinolide F (CHEBI:199643) is a butenolide (CHEBI:50523) |
| IUPAC Name |
|---|
| (4S,5aR)-4-hydroxy-4,7,7-trimethyl-1,5,5a,6-tetrahydrocyclopenta[e][2]benzouran-3-one |
| Manual Xrefs | Databases |
|---|---|
| 78436524 | ChemSpider |