Compound details
Euphornin
| Compound ID | CDAMM01576 |
|---|---|
| Common name | Euphornin | IUPAC name | (4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl) benzoate |
| Molecular formula | C33H44O9 |
Experimental data
| Retention time | 3.4 |
|---|---|
| Adduct | [M+H]+ |
| Actual mz | 585.306 | Theoretical mz | 585.306 |
| Error | 0.04 |
| Ionizaton mode | Positive |
| Instrument type | LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60 |
| Score | 7.3018 |
Identifiers and class information
| Inchi key | BRVXVMOWTHQKHC-LVYIKVSWNA-N |
|---|---|
| Smiles | O=C(OC1C2C=C(C)C(OC(=O)C)CC(OC(=O)C)C(C=CC(C)C(OC(=O)C)C2(O)CC1C)(C)C)C=3C=CC=CC3 |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
External sources
| HMDB ID | |
|---|---|
| KNApSAcK ID | C00030232 |
| FooDB ID | |
| DrugBank ID | |
| ChEBI ID | |
| Pubchem Compound ID | 72732389 |
| PlantCyc ID | |
| UNPD ID | UNPD105553 |
| Coconut ID | CNP0197665 |
| LipidMAPS ID | |
| NANPDB ID | NANPDB_2280 |