EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H24O3 |
| Net Charge | 0 |
| Average Mass | 252.354 |
| Monoisotopic Mass | 252.17254 |
| SMILES | CC1=C(CO)[C@@]2(C)C[C@@H](O)CC(C)(C)[C@@H]2CC1=O |
| InChI | InChI=1S/C15H24O3/c1-9-11(8-16)15(4)7-10(17)6-14(2,3)13(15)5-12(9)18/h10,13,16-17H,5-8H2,1-4H3/t10-,13-,15+/m0/s1 |
| InChIKey | VIQTUXLCEPAHBZ-VZJVUDMVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Diaporthespecies (ncbitaxon:1756133) | - | PubMed (23006147) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Diaporol F (CHEBI:224720) is a cyclohexenones (CHEBI:48953) |
| IUPAC Name |
|---|
| (4aS,6S,8aS)-6-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 28669736 | ChemSpider |