EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H20O4 |
| Net Charge | 0 |
| Average Mass | 264.321 |
| Monoisotopic Mass | 264.13616 |
| SMILES | CC1=C2C(=C[C@@](C)(CO)[C@@H]2O)C(C)(O)C(=O)C12CC2 |
| InChI | InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)11(10)17)14(3,19)12(18)15(8)4-5-15/h6,11,16-17,19H,4-5,7H2,1-3H3/t11-,13+,14?/m1/s1 |
| InChIKey | ZWMQGXMHSMRYFW-LXKBMQFRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Omphalotus japonicus (ncbitaxon:72119) | - | DOI (10.1016/0040-4020(65)80065-5) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isoilludin S (CHEBI:204955) is a cyclohexenones (CHEBI:48953) |
| IUPAC Name |
|---|
| (1R,2S)-1,4-dihydroxy-2-(hydroxymethyl)-2,4,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-5-one |
| Manual Xrefs | Databases |
|---|---|
| 78439931 | ChemSpider |