EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:146784 - 8beta-epoxyangeloyloxy-9alpha-ethoxy-14-oxo-acanthospermolide
| Formula | C22H28O7 |
| Net Charge | 0 |
| Average Mass | 404.459 |
| Monoisotopic Mass | 404.18350 |
| SMILES | [H][C@@]12/C=C(\C)CC/C=C(/C=O)[C@@H](OCC)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@]1([H])C(=C)C(=O)O2 |
| InChI | InChI=1S/C22H28O7/c1-6-26-18-15(11-23)9-7-8-12(2)10-16-17(13(3)20(24)27-16)19(18)28-21(25)22(5)14(4)29-22/h9-11,14,16-19H,3,6-8H2,1-2,4-5H3/b12-10-,15-9-/t14-,16+,17+,18+,19+,22-/m0/s1 |
| InChIKey | NTAPKTSBAKEYPS-MLVSFPLASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Smallanthus sonchifolius (ncbitaxon:185202) | leaf lamina (BTO:0000719) | PubMed (18239309) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8beta-epoxyangeloyloxy-9alpha-ethoxy-14-oxo-acanthospermolide (CHEBI:146784) is a sesquiterpene lactone (CHEBI:37667) |