EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28O8 |
| Net Charge | 0 |
| Average Mass | 420.458 |
| Monoisotopic Mass | 420.17842 |
| SMILES | [H][C@@]12/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)C(OC(=O)[C@]3(C)O[C@@H]3C)C(O)[C@@]1([H])C(=C)C(=O)O2 |
| InChI | InChI=1S/C22H28O8/c1-10-7-8-15(27-14(5)23)11(2)9-16-17(12(3)20(25)28-16)18(24)19(10)29-21(26)22(6)13(4)30-22/h7,9,13,15-19,24H,3,8H2,1-2,4-6H3/b10-7+,11-9-/t13-,15+,16-,17+,18?,19?,22-/m1/s1 |
| InChIKey | UZTYOOVAPGOQDZ-FJQRKXEXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Eupatocunoxin (CHEBI:4934) is a germacranolide (CHEBI:73011) |
| Synonym | Source |
|---|---|
| Eupatocunoxin | KEGG COMPOUND |