EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:191927 - Adlupone
| Formula | C31H46O4 |
| Net Charge | 0 |
| Average Mass | 482.705 |
| Monoisotopic Mass | 482.33961 |
| SMILES | CCC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O |
| InChI | InChI=1S/C31H46O4/c1-11-24(10)26(32)25-27(33)30(16-12-20(2)3,17-13-21(4)5)29(35)31(28(25)34,18-14-22(6)7)19-15-23(8)9/h12-15,24,33H,11,16-19H2,1-10H3 |
| InChIKey | NHAJHKARKKFXMR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | blood serum (BTO:0000133) | MetaboLights (MTBLS4638) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Adlupone (CHEBI:191927) is a benzoquinones (CHEBI:22729) |
| Adlupone (CHEBI:191927) is a quinone (CHEBI:36141) |
| IUPAC Name |
|---|
| 5-hydroxy-4-(2-methylbutanoyl)-2,2,6,6-tetrakis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione |
| Manual Xrefs | Databases |
|---|---|
| 35013446 | ChemSpider |