EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H20O3 |
| Net Charge | 0 |
| Average Mass | 248.322 |
| Monoisotopic Mass | 248.14124 |
| SMILES | CC1=C2[C@H](O)C(=O)[C@H](C)[C@@H]2[C@@H]2[C@H](CC1=O)C2(C)C |
| InChI | InChI=1S/C15H20O3/c1-6-9(16)5-8-12(15(8,3)4)10-7(2)13(17)14(18)11(6)10/h7-8,10,12,14,18H,5H2,1-4H3/t7-,8+,10+,12+,14+/m1/s1 |
| InChIKey | URVWKOSASHZFEO-BGUASBQGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Scedosporium (ncbitaxon:41687) | - | DOI (10.1039/c6ra21142a) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Scedogiine F (CHEBI:205618) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| (1aS,5S,7R,7aS,7bS)-5-hydroxy-1,1,4,7-tetramethyl-1a,2,5,7,7a,7b-hexahydrocyclopropa[e]azulene-3,6-dione |
| Manual Xrefs | Databases |
|---|---|
| 60596873 | ChemSpider |