EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H20O3 |
| Net Charge | 0 |
| Average Mass | 236.311 |
| Monoisotopic Mass | 236.14124 |
| SMILES | C[C@@H]1C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2C2=C1COC2=O |
| InChI | InChI=1S/C14H20O3/c1-7-4-8-5-14(2,3)12(15)10(8)11-9(7)6-17-13(11)16/h7-8,10,12,15H,4-6H2,1-3H3/t7-,8-,10+,12-/m1/s1 |
| InChIKey | DGJHSSXQNSMZQN-CUKVJPMHSA-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 D (CHEBI:208423) is a butenolide (CHEBI:50523) |
| IUPAC Name |
|---|
| (4R,5aR,8R,8aS)-8-hydroxy-4,7,7-trimethyl-4,5,5a,6,8,8a-hexahydro-3H-cyclopenta[g][2]benzouran-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78438447 | ChemSpider |