EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:207992 - Truncateol Q
| Formula | C16H24O4 |
| Net Charge | 0 |
| Average Mass | 280.364 |
| Monoisotopic Mass | 280.16746 |
| SMILES | CC(C)=C/C=C1/C[C@@H]2O[C@@H](C(C)(C)O)C[C@]23O[C@@H]3[C@@H]1O |
| InChI | InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14+,16-/m0/s1 |
| InChIKey | FWSQMPDAXKALDF-ALRYNZELSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Truncatella angustata (ncbitaxon:152316) | - | PubMed (30077121) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Truncateol Q (CHEBI:207992) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (1S,3R,4R,5Z,7S,9R)-9-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enylidene)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol |
| Manual Xrefs | Databases |
|---|---|
| 71048842 | ChemSpider |