EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:6004 - Isodonal
| Formula | C22H28O7 |
| Net Charge | 0 |
| Average Mass | 404.459 |
| Monoisotopic Mass | 404.18350 |
| SMILES | [H][C@@]12[C@@H](O)C[C@@H]3C[C@@]1(C(=O)O[C@@]1([H])CCC(C)(C)[C@@H](C=O)[C@]21COC(C)=O)C(=O)C3=C |
| InChI | InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1 |
| InChIKey | QKDLQFSLLCQTOH-MVVUPFSZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isodonal (CHEBI:6004) is a δ-lactone (CHEBI:18946) |
| Synonym | Source |
|---|---|
| Isodonal | KEGG COMPOUND |