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 | CC1(C)CCCC2(C)C1CC=C1C(=O)OC(O)C12O |
| InChI | InChI=1S/C15H22O4/c1-13(2)7-4-8-14(3)10(13)6-5-9-11(16)19-12(17)15(9,14)18/h5,10,12,17-18H,4,6-8H2,1-3H3 |
| InChIKey | XLGNZQXMDVSKOV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one (CHEBI:181275) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-3-one |
| Manual Xrefs | Databases |
|---|---|
| 22936657 | ChemSpider |